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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)-1-(4-hydroxy-3-methoxyphenyl)-5-methoxydecan-3-one
308.40
3.6
1
4
55.76
11
(8)-Gingerdione
320.40
3.7
1
4
63.6
12
[10]-Gingerdione
348.50
4.7
1
4
63.6
14
(E)-1-phenyl-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
256.25
2.6
3
4
77.76
3
(19R)-19-Ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
364.40
0.6
2
6
101.65
1
19-Ethenyl-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
512.50
-0.6
5
10
161.78
4
Leuconolam
326.40
1
2
3
69.64
1
(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol
184.23
2.7
1
1
20.23
5
6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
400.40
1.7
5
8
140.59
2
6-(4,5-Dihydroxy-6-methyloxan-2-yl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
430.40
1.7
5
9
149.82
3
1,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
516.40
1.5
7
12
211.28
9
[(1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10,13-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] 3-(dimethylamino)-3-phenylpropanoate
695.80
4.3
0
11
134.74
14
(3R,3aS,8aS)-8a-methyl-8-oxo-3-propan-2-yl-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde
234.33
2.7
0
2
34.14
2
(1R,3aS,8aS)-7-(hydroxymethyl)-3a-methyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydroazulen-4-one
236.35
2.2
1
2
37.3
2
beta-1-C-ethyl-1-deoxymannojirimycin
191.22
-1.4
5
5
92.95
2
(E)-2-Methyl-2-butenyl angelate
168.23
2.8
0
2
26.3
4
[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
478.40
2.7
0
11
140.73
13
[(1R,4S,5R,6S,7R,11S)-4,5-diacetyloxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] acetate
328.31
0
0
8
97.36
6
[(2R,3R,4S,5R,6S)-6-[[(2S,8S,9R,10R,13R,14S,16R,17R)-17-acetyl-16-acetyloxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
774.80
2.2
0
15
201.17
14
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2S,8S,9R,10R,13R,14S,16R,17R)-16-acetyloxy-17-[(2R)-2-hydroxy-3-oxobutan-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]oxan-2-yl]methyl acetate
818.90
2.1
1
16
221.4
15
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S,3R,8S,9R,10R,13R,14S,16R,17R)-3,16-diacetyloxy-17-[(2R)-2-hydroxy-3-oxobutan-2-yl]-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]oxy]oxan-2-yl]methyl acetate
863.00
2.5
1
17
230.63
17
7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5,6,7-triol
380.34
-3.7
8
11
189.53
4
(1S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5,6,7-triol
380.34
-3.7
8
11
189.53
4
8-Methyl-8-azabicyclo[3.2.1]octane-2,6-diol
157.21
-0.2
2
3
43.7
0
26-Nor-8-oxo-alpha-onocerin
444.70
6
2
3
57.53
3
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