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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
1-Hydroxyheptan-2-one
130.18
1.2
1
2
37.3
5
6-Methoxy-2-oxo-3-(2-oxochromen-7-yloxy)chromen-7-yl acetate
394.30
3.4
0
8
105.18
5
(6R)-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
408.40
2.7
1
7
87.36
4
[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
285.38
1.4
2
5
70
6
4-Hydroxy-2-methoxybenzoic acid
168.15
1.4
2
4
66.76
2
3-[(3S,5R,8R,9R,10S,12R,13S,14S,17S)-12,14-dihydroxy-3-[(2R,4S,5S,6S)-4-hydroxy-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,4S,5S,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
795.00
1.8
5
14
192.06
8
(1R,6R,7S,17S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
351.40
0.6
2
7
96.3
1
(2R,3R,4R,5S,6R)-2-(1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
396.40
-0.6
6
8
139.84
9
Mallotochromene
442.50
4.2
4
8
133.52
5
(8S,9R,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
410.70
8.5
0
1
17.07
5
(8R,9R,13S,14R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
272.40
4
2
2
40.46
0
4-[(3R,3aR,6S,6aS)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
418.40
2.2
2
8
95.84
6
(1S)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,8,12(15)-tetraen-13-one
244.28
2.7
0
3
39.44
0
Trimethoxyanthraquinone
298.29
2.8
0
5
61.83
3
(2R)-2-amino-9-methylsulfanylnonanoic acid
219.35
-0.2
2
4
88.62
9
Demethoxyaschantin
370.40
2.8
0
6
55.38
4
6-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
430.40
2.7
0
8
73.84
6
EpisesarteminA
430.40
2.7
0
8
73.84
6
4-Hydroxyphenylacetic acid
152.15
0.8
2
3
57.53
2
[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl] acetate
212.28
2.2
0
3
38.83
6
Pongapinone B
396.40
4.6
0
6
63.22
5
3-(1,3-Benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-hydroxyprop-2-en-1-one
410.40
4.4
1
7
83.45
5
(1R,3S,4R,5R,7S)-4-[(E)-4-hydroxy-4-methylpent-2-enyl]-4-methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
568.80
8.1
1
6
97.74
11
(1R,3S,4R,5R,7S)-4-[(E)-4-hydroxy-4-methylpent-2-enyl]-4-methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methylbut-2-enyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
582.80
8.5
1
6
97.74
12
(1R,3S,4R,5R,7S)-4-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-4-methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
584.80
8.2
1
7
106.97
12
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