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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
(E)-1-[(2S,4R)-5-hydroxy-4-[(2S)-2-hydroxy-4-(4-hydroxyphenyl)butyl]-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
582.60
6.5
5
8
136.68
10
[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S)-4-[(3,4-dimethoxybenzoyl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]methyl 3,4-dimethoxybenzoate
776.70
0.9
5
18
236.82
18
Chuanliansu
574.60
0.7
3
11
165.26
5
Kalopanaxsaponin H
913.10
2
10
17
274.75
9
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-carboxylate
913.10
2.6
10
17
274.75
9
Gymnoside VII
1061.00
0.6
10
24
362.88
26
Murucoidin I
1069.20
2.5
9
23
326.97
14
11,19-Dideoxyfistularin 3
1082.00
3.9
4
11
169.53
12
[(1R,2R,4S,5R,8R,10S,13R,14R,17S,18R,22S,23S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,23-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-22-yl] hexanoate
1177.40
1.3
13
24
372.36
16
Gastrodin
286.28
-0.8
5
7
119.61
4
(2e,6e,8e)-n-(2-Methylpropyl)-2,6,8-decatrienamide
221.34
3.6
1
1
29.1
7
2-Methoxy-9,10-dihydrophenanthrene-4,5-diol
242.27
3.1
2
3
49.69
1
3-Methylhexane
100.20
3.7
0
0
0
3
(e)-2-methyl-2-butene-1,4-diol 4-O-beta-d-glucopyranoside
264.27
-1.9
5
7
119.61
5
Phoyunbene C
272.29
3.4
2
4
58.92
4
Grandiuvarone A
302.28
1.3
0
6
78.9
6
Parietinic acid
314.25
2.2
3
7
121.13
2
(4Z,4aS,7E,11aR)-4-[(E)-4-hydroxy-4-methylpent-2-enylidene]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-3-one
316.40
3.2
1
3
46.53
2
3-Methyl-1-pentanol
102.17
1.8
1
1
20.23
3
CID 11508313
336.50
3.1
1
4
55.76
0
Psoralenoside
366.30
0.1
5
9
149.82
5
Enterodiol
302.40
2.6
4
4
80.92
7
Isofraxoside
370.31
-0.6
5
10
159.05
4
3-Hexanone
100.16
1.2
0
1
17.07
3
(2S,3S)-2-(5-Methoxy-3,4-methylenedioxybenzyl)-3-(3,4-methylenedioxybenzyl) butyrolactone
384.40
3.6
0
7
72.45
5
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