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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
[(1S,2S,3S,4S,5R,6R,7S,9R,12R)-3,4,12-triacetyloxy-5-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
652.70
3.8
1
12
160.96
12
[(1S,2S,3S,4S,5R,6R,7S,9R,12R)-3,12-diacetyloxy-5-benzoyloxy-2,4-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
610.60
3.3
2
11
154.89
10
[(1S,2S,3S,4S,5R,6R,7S,9R,12R)-3,4-diacetyloxy-5,12-dibenzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
714.80
5.5
1
12
160.96
13
(1R,2R,4S,5S,8S,9S,10R,11S,12S)-4,5,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
364.40
-0.7
4
7
124.29
1
2-[(3R,3aR,6aR,8R,9aR,9bR)-3,8-dihydroxy-3-(hydroxymethyl)-6,9-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl]acetic acid
338.40
-0.1
4
7
124.29
3
(3S,4aS,10aR,11aR,11bS)-3-hydroxy-4,4,8,11b-tetramethyl-1,3,4a,5,6,10a,11,11a-octahydronaphtho[2,1-f]benzofuran-2,9-dione
330.40
2.3
1
4
63.6
0
(1S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-ol
202.25
1.5
3
2
48.05
0
(11S,12Z,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carbaldehyde
308.40
1.6
2
4
52.57
1
3,7-Dimethyloct-7-enal
154.25
3.3
0
1
17.07
6
Toddalolactone 3'-O-methyl ether (6-(2-Hydroxy-3-methoxy-3-methylbutyl)-5,7-dimethoxycoumarin)
322.40
2
1
6
78.13
6
6-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
322.40
2
1
6
78.13
6
6-[(2S)-3-chloro-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
326.77
2.7
1
5
68.9
5
oryzalexin S
304.50
4
2
2
40.46
1
6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one
290.31
2.7
1
5
68.9
5
Callinecdysone A
480.60
0.6
6
7
138.45
6
[(2R,3S,4R,5R,6S)-6-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
564.50
1.6
7
11
194.21
7
(10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]methyl]oxan-2-yl]-10H-anthracen-9-one
550.60
1.6
7
10
177.14
7
Osmanthuside A
446.40
1.3
5
9
145.91
9
(1R,9S,11S,12R,16R)-5,5,15,15,19-pentamethyl-23-propan-2-yl-14,24-dioxaheptacyclo[11.8.2.19,12.01,11.04,9.011,18.012,16]tetracosa-13(23),19-dien-22-one
450.70
5.2
0
3
35.53
1
9-[(2R)-2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
496.50
0
5
12
181.42
8
9-[(2R)-3-hydroxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
496.50
0
5
12
181.42
8
[(10R,11R,12S,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[(11R,12R,15R)-3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]-3,4,5-trihydroxybenzoate
1571.10
1.3
25
44
743.84
14
[(10S,11S,12S,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[(10S,11R,12S,15S)-3,4,5,13,21,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-22-yl]oxy]-3,4,5-trihydroxybenzoate
1571.10
2.4
25
44
743.84
14
(1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
138.25
3.9
0
0
0
1
Lucidin
270.24
2.4
3
5
94.83
1
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