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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
(3S,5R,8R,9R,10R,13R,14R,16S,17R)-17-[(E,2S)-2,6-dihydroxy-6-methylhept-4-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]phenanthrene-3,16-diol
476.70
6.3
4
4
80.92
4
[(1R,2R,10S,11S,12S,13R,15R)-12-acetyloxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] 3-(4-hydroxy-3-methoxyphenyl)propanoate
485.60
4.4
1
7
85.3
8
11-hydroxy-4-oxo-8-phenyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2-carboxylic acid
498.40
1.5
6
11
183.21
5
[(5aS,6S,7R,9aS)-6-[2-[(5aS,6R,9aS)-2,2,5a-trimethyl-7-methylidene-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-7-yl] acetate
530.70
5.1
0
6
78.9
5
(2S,3S,4S,5R,6S)-6-[[6-(3,4-dimethoxyphenyl)-9-hydroxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
534.40
1.4
5
14
203.81
6
Licobichalcone
570.50
4.4
6
10
173.98
7
Disogluside
576.80
4.1
4
8
117.84
3
11-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxychromeno[4,3-b]chromene-6,7-dione
588.50
-0.4
6
14
218.72
5
4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
210.31
1.9
1
2
37.3
3
[(2R,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-6,7-diacetyloxy-4b-(acetyloxymethyl)-5-benzoyloxy-2-ethenyl-10,10a-dihydroxy-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
734.80
4.6
2
13
189.03
14
Alcesefoliside
756.70
-2.4
12
20
328.35
8
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,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'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
869.00
1.9
8
16
235.68
7
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6S,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(2S,4R,5S)-4-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1049.20
-1.6
13
23
355.29
11
(2Z,4E)-Hexa-2,4-dienal
96.13
1.2
0
1
17.07
2
(2S)-2-(15N)azanyl-4,4,4-trideuterio-3-methylbutanoic acid
121.16
-2.3
2
3
63.32
2
(+)-(2S,3S,4R,5R)-2-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
164.16
-2.1
4
5
90.15
1
(+)-talo-Quercitol
164.16
-2.7
5
5
101.15
0
Carvone-5,6-oxide, trans-(-)-
166.22
1.6
0
2
29.6
1
Vanillin
152.15
1.2
1
3
46.53
2
(4s,8r)-8,9-Dihydroxy-p-menth-1(6)-en-2-one
184.23
0.1
2
3
57.53
2
(E)-1-(3',4'-Dimethoxyphenyl)but-1-ene
192.25
2.9
0
2
18.46
4
(1R,8R,13S)-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradeca-4,6-dien-3-one
203.24
0.7
0
3
29.54
0
Senkyunolide E
204.22
1.9
1
3
46.53
2
Sativene
204.35
4.9
0
0
0
1
(-)-alpha-Himachalene
204.35
4.5
0
0
0
0
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