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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
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)nonan-3-one
280.36
1.9
2
4
66.76
9
(2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,5-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
510.70
-0.1
7
8
158.68
5
(2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
508.60
-0.3
7
8
158.68
5
[5-acetyloxy-4-[(5R,7R,8R,9R,10R,13S,17R)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2,5-dihydrofuran-2-yl] acetate
512.60
4.1
1
7
99.13
5
[(5R,7R,8R,9R,10R,13R,14R,17R)-17-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
522.70
6.2
2
6
93.06
5
Folitenol
390.50
5.5
1
4
47.92
2
Licoagrocarpin
338.40
4.5
1
4
47.92
3
(2R)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
284.31
3.5
2
4
66.76
1
(3R,4R)-3-[[3-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
568.60
3.4
4
10
144.14
12
5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
492.40
0.8
6
12
188.51
6
alpha-Glycyrrhizin
822.90
3.7
8
16
267.04
7
Dihydro-caffeic acid
182.17
0.7
3
4
77.76
2
(3S,5R,8S)-5,8-Epoxy-5,8-dihydro-beta,beta-caroten-3-ol
568.90
11.3
1
2
29.46
9
(4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
226.31
0.9
2
3
57.53
2
Holacanthone
436.50
-0.3
3
9
139.59
2
Wilforlide A
454.70
6.9
1
3
46.53
0
Isodonoic acid
420.50
1.5
2
8
127.2
3
Drageana 4
720.80
1.6
3
15
214.56
14
(2S,3R,4S,5S,6R)-2-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-6-[[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
771.00
2.2
9
13
218.99
9
25(R)-Hydroxyprotopanaxadiol
478.70
5.9
4
4
80.92
5
(Z)-3,4-Dimethoxycinnamic acid
208.21
1.8
1
4
55.76
4
7H-Dibenzo(de,g)quinolin-7-one, 3-hydroxy-1,2-dimethoxy-
307.30
3.2
1
5
68.65
2
(2S)-4-[9-[(2R,5R)-5-[(1S,4R)-4-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
638.90
8
4
8
125.68
25
[(2S,3S,4S,5S,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
724.70
5.8
6
14
222.65
11
[(2S,3R,4S,5S,6R)-2-[2-[(1S,2S)-1,2-dihydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
556.60
1
5
11
176.12
9
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