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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
Dulcisisoflavone
406.50
4.8
1
5
68.9
1
Cochinchinone A
448.50
8.2
3
5
90.9
7
Lyclavatol
450.70
5.1
4
4
80.92
3
Octadec-6-enoic acid
282.50
7.3
1
2
37.3
15
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
480.40
0.2
7
12
195.6
5
Kadlongilactone B
492.60
2.9
1
6
89.9
0
[[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
507.18
-5.7
7
17
308.56
8
[(1R,3S,4aS,6aR,6bS,8aR,12aR,14R,14aS,14bS)-1-hydroxy-14-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
514.80
8.2
1
4
55.76
3
Octadecane
254.50
9.3
0
0
0
15
longipedumin A
532.60
6.3
1
8
92.68
7
methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
574.50
2.1
5
13
198.51
12
epicalyxin F
582.60
6.7
5
8
136.68
9
(4bS,8aS,9R,10S)-9-[[(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-yl]oxy]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,10-diol
584.90
11.7
2
3
49.69
4
[(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,20R,22S,23R)-20-acetyloxy-10,14,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate
620.70
0.6
3
12
167.28
5
Heptacosane
380.70
14.2
0
0
0
24
[(3S,5R,8R,9S,10R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate
683.10
16.6
1
3
46.53
21
2,4-Heptadecanedione
268.40
6.1
0
2
34.14
14
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(2-hydroxy-4,5-dimethoxyphenyl)-5,6-dimethoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
814.70
0.5
7
19
271.96
15
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
1105.20
0.2
14
24
391.2
12
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1121.30
-0.3
15
24
394.36
14
Pulchinenoside C
1221.40
-1.2
15
26
412.82
15
2E,4E,6E-Allofarnesene
204.35
6.1
0
0
0
5
1-Hydroxy-2,3-dimethoxy-7-methyl-9,10-anthraquinone
298.29
3.4
1
5
72.83
2
Tagalsin F
302.50
6
1
2
37.3
1
[(3S,4S)-4-acetyloxy-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-3-yl] acetate
317.34
1.5
0
5
72.91
6
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