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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
6'-coumaroyl-1'-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside
462.40
0.9
6
10
166.14
9
[(2S,3S)-3-(acetyloxymethyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butyl] acetate
502.50
4
0
10
107.98
13
(4-Hydroxy-8,8-dimethyl-5-oxo-2-propan-2-yl-6,7-dihydrophenanthren-3-yl) hexadecanoate
536.80
12
1
4
63.6
17
Scutebarbatine E
571.60
3.8
1
9
129.09
8
Dichapetalin I
602.80
5.3
3
6
96.22
4
Bisrubescensin B
746.90
-1
9
13
234.67
3
Smilaside E
882.80
1.9
7
20
292.96
21
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
897.10
3.3
9
16
254.52
8
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aS,9R,10R,12aS,14aR,14bR)-8-acetyloxy-4-formyl-9-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1231.30
-0.4
13
27
423.57
17
Cedronellone
300.40
3.8
0
2
26.3
0
(1S,4S,5S,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
302.50
5.4
1
2
37.3
1
8-[(1S,2R)-2-ethoxy-1-hydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
304.34
2.6
1
5
68.9
6
[(3aS,6S,6aS,9R,9aS,9bR)-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxo-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[8,7-b]furan-9-yl] acetate
308.40
2
1
5
72.83
3
4-[(1E)-2-(5-Hydroxy-2,2-dimethyl-2H-1-benzopyran-7-yl)ethenyl]-1,3-benzenediol
310.30
4
3
4
69.92
2
(1S,13R,16S,20R)-1,16-dimethyl-8,14-dioxapentacyclo[11.6.1.02,11.05,9.016,20]icosa-2(11),5,9-trien-7-one
312.40
3
0
3
35.53
0
(1R,15R,17S,18S)-17-ethyl-7-methoxy-5-tritio-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
312.40
3.9
1
2
28.26
2
3,4-Dihydroxy-5-(3-methylbut-2-enyl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one
362.50
4
2
5
91.67
8
(6R,7aS)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7a-dihydro-6H-1-benzofuran-2-one
314.29
-1.7
4
8
125.68
3
(4aS,10aS)-7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-10,10a-dihydro-9H-phenanthrene-2,4-dione
314.40
4.2
1
3
54.37
1
Salvinolone
314.40
5.1
2
3
57.53
1
(1R,2R,6R)-2-[2-(furan-3-yl)ethyl]-7-methyl-3-methylidene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one
314.40
4.3
0
3
39.44
3
Avenanthramide C
315.28
2.1
5
6
127.09
4
Holaphyllamine
315.50
4
1
2
43.09
1
(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-methoxy-4-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
316.30
-0.5
5
8
128.84
4
Hierochin C
316.30
1.3
3
6
96.22
4
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