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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
(2S)-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
368.40
3.7
1
5
64.99
6
(5aS,8aS,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
412.40
2.5
0
8
89.52
4
(5R,5aR,8aR,9S)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
414.40
2
1
8
92.68
4
(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-2-one
430.70
9.6
0
1
17.07
9
(22R,23R)-22,23-Dihydroxycampesterol
432.70
6.5
3
3
60.69
5
(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
434.40
-2.7
7
12
187.76
6
[(3aR,4S,6aR,8S,9R,9aS,9bS)-8,9-dihydroxy-4-[2-(hydroxymethyl)prop-2-enoyloxy]-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[8,7-b]furan-9-yl]methyl 2-(hydroxymethyl)prop-2-enoate
464.50
-0.6
4
10
159.82
9
Sandorinic acid C
470.70
5.7
2
4
74.6
1
(4e)-1,5-Bis(4-hydroxyphenyl)-1-[(2e)-3-(4-acetoxyphenyl)-2-propenoxy]-2-(methoxymethyl)-4-pentene
488.60
5.5
2
6
85.22
13
Phyllaemblicin D
494.50
-3.6
8
13
215.83
6
Withanolide S
504.60
0.8
5
8
144.52
2
(2R,6R)-methyl 6-((3R,3aR,5aS,6S,7S,9bR)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-methyl-4-oxoheptanoate
514.70
7.1
0
5
69.67
12
Jasmolactone B
516.50
1.9
5
11
172.21
9
[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
524.50
-0.6
6
12
184.6
8
Super Squalene; trans-Squalene;AddaVax
410.70
11.6
0
0
0
15
Phenalen-1-one
180.20
3.2
0
1
17.07
0
(25r)-5alpha-spirostan-3beta-ol 3-O-beta-d-galactopyranoside
578.80
4.9
4
8
117.84
3
1,1'-[1,12-Dodecanediylbis(oxy)]bisbenzene
354.50
8.2
0
2
18.46
15
[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-(6,7-dioxochromeno[4,3-b]chromen-4-yl)oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
956.80
-0.8
9
23
342.63
14
methyl (4S,5E,6S)-4-[2-[[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
1010.90
-1.7
12
25
386.27
20
Tieghemelin
1253.30
-3.5
17
29
470.35
13
(2R,3S)-2,3-Diaminobutanoic acid
118.13
-3.2
3
4
89.34
2
(-)-Sabinene
136.23
3.1
0
0
0
1
cis-3-Butyl-4-vinyl-cyclopentene
150.26
4.2
0
0
0
4
Ethyl 2-deuteriooctanoate
173.27
3.5
0
2
26.3
8
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