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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
(1R,5R)-5-[(2S,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2-methylcyclohex-2-en-1-ol
306.50
4.5
2
2
40.46
7
9,10-Anthracenedione, 1,3-dihydroxy-5,6-dimethoxy-2-methyl-
314.29
3
2
6
93.06
2
1-Acetoxy-9,17-octadecadiene-12,14-diyne-11,16-diol
332.40
3.9
2
4
66.76
13
Dibromoiodomethane
299.73
2.7
0
0
0
0
Apteniol F
344.40
2.9
2
6
93.06
9
Kankanoside E
348.39
0.3
5
8
136.68
9
[(2R,3S,4S)-2-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)oxolan-3-yl]methanol
356.40
2.8
1
6
66.38
4
Angeliferulate
404.40
2.2
3
8
114.68
10
(3E,4S)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
414.40
3.4
1
8
92.68
6
[(1R,2S,4aR,6aR,11aS,11bS)-1-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-2-yl] acetate
416.50
3.3
1
6
85.97
4
(3R,4S)-3-(4-hydroxy-3,5-dimethoxybenzoyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
430.40
3
1
9
109.75
7
Furowanin B
438.50
4.6
4
7
120.36
4
(1S,2R,4aS,6aS,6bR,10R,11R,12aR)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carbaldehyde
456.70
6.3
2
3
57.53
1
(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid
462.40
1.8
5
11
180.05
11
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)xanthen-9-one
464.50
7.8
4
6
111.13
7
(1S,2R,4aS,6aS,6bR,10S,11R,12aR)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
472.70
6.4
3
4
77.76
1
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromen-6-yl]oxy]oxan-2-yl]methyl 4-methoxybenzoate
490.50
1.9
4
11
161.21
7
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (2S)-2-methylbutanoate
502.50
-0.9
6
12
184.6
11
Undecyl 3-[4-(3-oxo-3-undecoxypropyl)dithiadiazetidin-3-yl]propanoate
546.90
11.1
0
8
109.68
28
Lancifodilactone J
586.60
1.1
1
11
151.73
3
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-methoxy-3-(4-methoxyphenyl)chromen-4-one
592.50
-0.8
6
14
206.97
9
[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbutanoate
604.90
6.6
3
7
105.45
8
[(1S,2S,3aR,4R,4aS,4bS,6R,8aS,9aR,10R,10aR)-4,6,8a,10-tetraacetyloxy-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-1,2,3,4,4b,5,7,9,10,10a-decahydrocyclopenta[b]fluoren-1-yl] benzoate
656.70
3.4
1
12
168.8
11
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methoxy-4-[(4-methoxybenzoyl)oxymethyl]phenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxybenzoate
702.70
0.6
6
16
229.36
15
bruguierins B
727.20
16.2
2
4
66.76
22
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