化学结构搜索

按化学结构搜索

Mrv1572004221606262D 60 62 0 0 1 0 999 V2000型-0.3337 -2.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 -0.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5008 -0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3187 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 -0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -1.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -1.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5299 -0.44370.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0679 -1.2338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7995 1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 1.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6623 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9523 0.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4229 0.8837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2158 0.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4731 -1.8213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 1.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4985 1.8325 0.0000 O 0 0 0 0 0 0 00 0 0 0 0 0.2409 1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8031 -2.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1442 -0.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4555 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3328 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0843 -0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 -1.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0198 -1.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3188 -0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6069-0.4437 - 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2048 -1.2338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9364 1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 1.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7991 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0891 0.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 0.8837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9210 0.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6637 -1.8213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2527 1.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6383 1.8325 0.0000 O 0 0 0 0 0 00 0 0 0 0 0 6.3777 1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0483 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0483 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2233 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8733 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0483 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -4.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7143 -4.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -5.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2945 -0.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 -1.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0503 1.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 1.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4313 -0.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5425 -1.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 1.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 1.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 7 6 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 11 10 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 9 2 0 0 0 0 15 12 2 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 6 1 0 0 0 0 17 10 1 0 0 0 0 17 14 1 1 0 0 0 17 16 1 0 0 0 0 18 1 1 0 0 0 0 18 7 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 13 20 1 6 0 0 0 21 15 1 0 0 0 0 21 16 1 0 0 0 0 25 23 2 0 0 0 0 26 24 2 0 0 0 0 28 27 1 0 0 0 0 30 23 1 0 0 0 0 30 29 1 0 0 0 0 31 24 1 0 0 0 0 32 29 1 0 0 0 0 32 31 1 0 0 0 0 33 25 1 0 0 0 0 34 26 1 0 0 0 0 35 30 2 0 0 0 0 36 33 2 0 0 0 0 36 35 1 0 0 0 0 37 34 1 0 0 0 0 38 27 1 0 0 0 0 38 31 1 0 0 0 0 38 35 1 1 0 0 0 38 37 1 0 0 0 0 39 22 1 0 0 0 0 39 28 1 0 0 0 0 39 32 1 0 0 0 0 40 33 1 0 0 0 0 34 41 1 6 0 0 0 42 36 1 0 0 0 0 42 37 1 0 0 0 0 47 43 1 0 0 0 0 47 44 1 0 0 0 0 47 45 2 0 0 0 0 47 46 2 0 0 0 0 10 53 1 1 0 0 0 11 54 1 6 0 0 0 13 55 1 1 0 0 0 16 56 1 1 0 0 0 31 57 1 1 0 0 0 32 58 1 6 0 0 0 34 59 1 1 0 0 0 37 60 1 1 0 0 0 M END

搜索选项

相似

子结构

确切的

相似度阈值

最小的重量

最大重量

最大的结果

负载的例子 MarvinJS教程

大约85个结果中的1 - 30个

DBSALT000122 得分:1.0			C₃₄H₄₀N₂O₁₀年代单体质量:668.2403662
DBSALT001986 得分:1.0			C₃₄H₅₀N₂O₁₅年代单体质量:758.293190092
DBSALT000031 得分:0.996			C₃₆H₄₄N₂O₁₀年代单体质量:696.271666799
DBSALT001843 得分:0.996			C₃₆H₅₀N₂O₁₃年代单体质量:750.303360852
DBSALT002222 得分:0.996			C₁₈H₂₃没有₆年代单体质量:381.124608639
DB00295 得分:0.98			C₁₇H₁₉没有_3. 单体质量:285.136493479
DBSALT001753 得分:0.976			C₁₇H_20.ClNO_3. 单体质量:321.1131712
DBSALT001844 得分:0.976			C₁₈H₂₃没有₄ 单体质量:317.162708225
DBSALT003118 得分:0.976			C₁₇H₂₆ClNO₆ 单体质量:375.1448653
DB00318 得分:0.976			C₁₈H₂₁没有_3. 单体质量:299.152143543
DB01466 得分:0.976			C₁₉H₂₃没有_3. 单体质量:313.167793607
DBSALT001068 得分:0.972			C₁₈H₂₂ClNO_3. 单体质量:335.1288213
DBSALT002363 得分:0.972			C₁₉H₂₄ClNO_3. 单体质量:349.1444713
DBSALT003186 得分:0.972			C₁₈H₂₆布尔诺₅ 单体质量:415.099436
DB01477 得分:0.972			C₁₉H₂₄布尔诺_3. 单体质量:393.093956286
DBSALT002221 得分:0.968			C₁₇H_20.N₂O₆ 单体质量:348.132136372
DBSALT002220 得分:0.964			C₁₇H₂₂没有₇P 单体质量:383.11338905
DBSALT002224 得分:0.964			C₁₉H₂₃没有₅ 单体质量:345.157622845
DBSALT000030 得分:0.96			C₁₈H₂₄没有₇P 单体质量:397.129038639
DBSALT001592 得分:0.96			C₃₆H₅₀N₂O₁₅P₂ 单体质量:812.268642914
DB01573 得分:0.96			C₂₄H₂₅没有_3. 单体质量:375.183443671
DB11490 得分:0.96			C₁₉H₂₁没有_3. 单体质量:311.15214354
DBSALT001652 得分:0.957			C₁₉H₂₂ClNO_3. 单体质量:347.1288213
DB01568 得分:0.949			C₁₈H₂₁没有₄ 单体质量:315.147058165
DB01497 得分:0.946			C₂₅H₃₃没有₄ 单体质量:411.240958549
DB09209 得分:0.946			C₂₃H_30.N₂O₄ 单体质量:398.220557458
DBSALT000825 得分:0.942			C₂₅H₃₄ClNO₄ 单体质量:447.217636288
DB01480 得分:0.942			C₂₆H₃₃没有₄ 单体质量:423.240958547
DBSALT002223 得分:0.935			C₃₈H₄₄N₂O₁₂ 单体质量:720.289424865
DB01469 得分:0.907			C₂₇H₃₅没有₅ 单体质量:453.251523231