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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
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tridecan-3-one
336.50
4.7
2
4
66.76
13
(25r)-Spirost-4-en-3-one
412.60
5.6
0
3
35.53
0
[(1S,2S,5R,6R,10S,13R,14R,16S)-6-(2-hydroxy-5-oxo-2H-furan-4-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] (E)-2-methylbut-2-enoate
584.70
3
1
10
142.5
7
(E)-3-(1,3-benzodioxol-5-yl)-1-[5-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-en-1-one
418.50
6.5
1
5
64.99
5
4-[5-[[(1R)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]benzaldehyde
638.70
5.4
1
9
107
10
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-hydroxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
963.20
0.6
13
19
318.37
13
(3aS,5aR,6R,9aS,9bS)-6-hydroxy-9-(hydroxymethyl)-5a-methyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
264.32
0.7
2
4
66.76
1
[(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-9-yl]methyl 2-(4-hydroxyphenyl)acetate
398.40
2.6
2
6
93.06
5
[(3aS,5aR,6R,9aS,9bS)-5a-methyl-3-methylidene-2-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-9-yl]methyl 2-(4-hydroxyphenyl)acetate
560.60
1
5
11
172.21
8
(3S,3aS,5aR,6R,9aS,9bS)-6-hydroxy-9-(hydroxymethyl)-3,5a-dimethyl-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
266.33
0.9
2
4
66.76
1
(3S,6R,7S,8R,11R,12S,15S,16R,19R,20R,21R)-7,20-bis(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol
474.70
6.2
4
4
80.92
2
(1R,3S,6R,7R,8R,11R,12S,15R,16S,19S,20S,21R,23S)-1,8,19,23-tetrahydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-7-carboxylic acid
522.70
4.5
6
7
138.45
2
(3S,6R,7S,8R,11R,12S,15S,16R,19S,20S,21R)-7,20-bis(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol
474.70
6.2
4
4
80.92
2
(3S,6R,7S,8R,11R,12S,15S,16R,19R,20S,21R)-7,20-bis(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol
474.70
6.2
4
4
80.92
2
[(2R,4aS,5R,8S,8aR)-3,8-dimethyl-6-oxo-5-propan-2-yl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-2-yl] acetate
278.40
2.8
0
3
43.37
3
[(2R,8S,8aR)-5-acetyl-3,8-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1H-naphthalen-2-yl] acetate
276.33
1.1
0
4
60.44
3
3-[2-[(2S)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-2-methylchromen-6-yl]ethyl]benzene-1,2-diol
380.50
5.1
3
4
69.92
7
[(2R,3R)-2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-6-methylheptan-3-yl] acetate
458.70
6.1
1
4
63.6
7
1-[2-[[4,6-Dihydroxy-7-(3-methylbutanoyl)-2-[[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]methyl]-1-benzofuran-3-yl]methyl]-4,6-dihydroxy-1-benzofuran-5-yl]-3-methylbutan-1-one
702.70
8.7
7
12
219.1
13
(1S)-4-[(1E,3Z,5E,7Z,9E,11Z,13E,15Z,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
568.90
11
2
2
40.46
10
castasterone-23-O-glucoside
626.80
3.1
7
10
177.14
8
2-Methylhexanal
114.19
2.2
0
1
17.07
4
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1S,4S,5'R,6R,7S,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxane-3,4,5-triol
575.80
3.8
5
8
120.64
3
1-(11Z-icosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
770.10
13.2
1
8
148.64
42
1-Methylpyrene-2,7-diol
248.27
4.7
2
2
40.46
0
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