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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
(2R)-4-[(2R)-9-[(2S,5R)-5-[(1R,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
638.90
8.2
4
8
125.68
25
(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
204.35
5.4
0
0
0
4
3-[(8Z,11Z)-hexadeca-8,11-dienyl]-5-methylidenefuran-2-one
316.50
7.6
0
2
26.3
13
3-[(Z)-hexadec-8-enyl]-5-methylidenefuran-2-one
318.50
8.3
0
2
26.3
14
(Z)-2-[2-[(1R,6R,7S,10R,11S,13R)-11-hydroxy-10-methoxy-2,13-dimethyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-7-yl]ethyl]but-2-ene-1,4-diol
366.50
1.8
3
5
79.15
6
(10E)-1-oxacycloicos-10-en-2-one
294.50
7.1
0
2
26.3
0
(2R,3R)-3-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
256.25
1.9
1
4
63.6
1
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(1-hydroxyethyl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
430.70
8.2
2
2
40.46
1
7-[[(1R,2R,4S,4aS,5S,8aS)-4-hydroxy-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]chromen-2-one
398.50
4.1
1
5
76.74
3
8-Hydroxy-6-methyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione
230.22
2.1
1
4
67.51
0
Quinoline-4-carboxylic acid
173.17
0.5
1
3
50.19
1
2-Hydroxytetracosanoic acid
384.60
10.7
2
3
57.53
22
Cedr-8(15)-ene
204.35
4.9
0
0
0
0
(-)-Alismoxide
238.37
2.1
2
2
40.46
1
[(1S,2R,3R,5S,7S,9R,10R,11R,12S,14S,15R,16S,17S,22R,23S,25R)-3,10,22,25-tetrahydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-14-yl] acetate
560.60
0.9
4
10
163.12
2
6-[(e)-2-(4-Hydroxyphenyl)ethenyl]-4-methoxypyran-2-one
244.24
2.4
1
4
59.67
3
3-(1H-indol-3-yl)quinoline
244.29
3.9
1
1
28.68
1
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-eneperoxoate
572.50
2.3
5
13
194.58
10
Neokestose
504.40
-5.5
11
16
268.68
9
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
785.00
4
9
13
218.99
10
(3S)-5,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
286.28
2.9
2
5
75.99
2
(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
426.70
9.5
1
1
20.23
5
(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-5',5'-bis(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-ol
446.60
3.4
3
5
79.15
2
(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-3'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,6'-oxane]-3',16-diol
446.60
3.4
3
5
79.15
1
(6S,7aR)-2-[(2Z,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
584.90
10
2
3
49.69
9
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