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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
(3Z,4S,5S)-4-hydroxy-5-methyl-3-tetradecylideneoxolan-2-one
310.50
6.7
1
3
46.53
12
4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-
326.30
2.9
0
6
67.13
3
Penicitrinone A
380.40
3.3
1
5
68.9
0
2-{[(2E)-3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy}-3-(3,4-dihydroxyphenyl)propanoic acid
418.30
1.8
6
10
181.82
9
2,2-Dimethylbutyric acid
116.16
1.5
1
2
37.3
2
1-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol
506.50
7.7
2
6
77.38
5
Dichapetalin L
586.80
6.8
2
5
75.99
4
methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a-(benzoyloxymethyl)-9-hydroxy-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
590.80
9.4
1
5
72.83
7
Dimethylmalonic acid
132.11
0.4
2
4
74.6
2
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-(2-hydroxy-4,5-dimethoxyphenyl)-5,6-dimethoxychromen-4-one
668.60
-1.2
7
17
245.66
11
Formosadimer C
727.10
13.5
0
5
53.99
13
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1231.30
-0.4
13
27
423.57
17
2-methylpropan(17O)al
73.11
0.8
0
1
17.07
1
methyl (E,5S,7R)-5,7-dihydroxyoct-2-enoate
188.22
0.3
2
4
66.76
6
Ethanone, 1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-
236.26
3
3
4
77.76
3
(3aS,6aR,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
246.30
1.3
1
3
46.53
0
4-Methoxycanthin-6-one
250.25
2.1
0
3
43.6
1
Phenol, 2,4-dimethoxy-5-[(1R)-1-phenyl-2-propenyl]-
270.32
4
1
3
38.69
5
Bauhiniastatin 1
284.26
2.5
1
5
76.74
1
Jkxngdlzomuebl-uhfffaoysa-
294.30
3.6
0
4
56.51
0
(2R,3R,4R,4aR)-3-bromo-1,4,4a,7-tetramethyl-2,3,4,5,8,9-hexahydrobenzo[7]annulen-2-ol
299.25
3
1
1
20.23
0
Dihydro Homocapsaicin II
321.50
5
2
3
58.56
11
Danshenol C
336.40
3
1
4
63.6
2
[3-[(Z)-pentadec-8-enyl]phenyl] acetate
344.50
8.6
0
2
26.3
15
(1'R,2'Z,3S,7'S,8'R)-2'-butylidene-8'-propylspiro[2-benzofuran-3,9'-3-oxatricyclo[5.2.2.01,5]undec-5-ene]-1,4'-dione
378.50
5.3
0
4
52.6
4
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