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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
Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-
384.50
3
2
5
74.79
4
11H-Benzofuro(3,2-b)(1)benzopyran-11-one, 2-(5,6-dihydro-9-hydroxy-2-methyl-2,6-methano-2H-1-benzoxocin-4-yl)-5a,10a-dihydro-1,3,5a,8-tetrahydroxy-10a-(3-methyl-2-butenyl)-
570.60
5.2
5
9
145.91
3
Cylindol B
318.28
3.5
2
7
102.29
6
5-hydroxy-7-[(1S,2R)-1-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl]oxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
632.60
5.5
2
12
156.26
11
Leptosin I
740.90
2.3
4
13
256.19
2
1-(3,4-Dimethoxyphenyl)propan-1-one
194.23
2.2
0
3
35.53
4
1-(4-Hydroxy-3-methoxyphenyl)propan-1-one
180.20
1
1
3
46.53
3
2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
478.40
0.5
7
12
199.51
5
(1S,2S,4R,7R,11S)-7-hydroxy-4-methyl-8,12-dimethylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-13-one
264.32
1.3
1
4
59.06
0
9a-(3,8a-Dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-9a-yl)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
462.60
5.1
0
4
52.6
1
[(1R,2R,5R,6R,8S,9S)-1,5,9-trimethyl-10-oxatricyclo[6.2.2.02,6]dodecan-9-yl]methyl acetate
280.40
3.3
0
3
35.53
3
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] 2-methylpropanoate
686.80
3.9
0
12
153.87
14
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5-acetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-11-[(E)-2-methylbut-2-enoyl]oxy-2-oxatricyclo[6.3.1.04,12]dodecan-7-yl] (E)-2-methylbut-2-enoate
738.90
5.3
0
12
153.87
15
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5-acetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-11-(2-methylpropanoyloxy)-2-oxatricyclo[6.3.1.04,12]dodecan-7-yl] (E)-2-methylbut-2-enoate
726.80
5.1
0
12
153.87
15
23-O-acetyl-7,8-didehydroshengmanol-3-O-alpha-l-arabinopyranoside
660.80
3.4
4
10
155.28
8
2-[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-22-yl]propan-2-yl acetate
692.90
4.2
5
11
164.37
6
Ajugarin IV
406.50
4.1
0
6
78.9
7
[(1R,19S,21R,22R,23S)-6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] 3,4,5-trihydroxybenzoate
938.70
2.4
15
26
444.18
9
(1S,7R,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene
202.33
4.3
0
0
0
0
(1R,2S,4S,6R,7S,8R,9S,12S,13R,18S,19S)-19-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-one
903.10
0
10
18
283.98
11
2-Oxidopropanoate
88.06
1.3
0
3
63.19
0
(e)-1-(2,4,5-Trimethoxyphenyl)buta-1,3-diene
220.26
3.4
0
3
27.69
5
(e)-4-(3,4-Dimethoxyphenyl)but-3-en-1-yl acetate
250.29
2.7
0
4
44.76
7
Octadecylamine
269.50
8.5
1
1
26.02
16
Triphasiol
348.40
1.9
2
6
96.97
7
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