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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
(2S,3R,4S,5R)-2-[3-hydroxy-5-[(6R)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol
458.50
1.5
5
9
141.98
3
4-[(2R,3R,4S,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenol
436.50
1.2
4
9
127.07
8
Maceneolignan A
356.40
4.4
1
5
57.15
5
(1S,4Z,6S,7S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
335.40
1.1
1
6
76.07
0
(2S,3R,4S,5S,6R)-2-[(3S,6E,10S)-2,10-dihydroxy-2,6,10-trimethyldodeca-6,11-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
418.50
0.7
6
8
139.84
11
[(5S,7R,8R,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
450.60
4.8
0
5
73.58
3
(3R,4R,6E,8E)-3-hydroxy-4,9-dimethyl-10-oxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydeca-6,8-dienoic acid
404.40
-0.6
6
10
173.98
10
Pulcherosine
539.50
-5.6
8
12
239.65
12
(1S,3R,6S,8R,11S,12R,15S,16R)-N,7,7,12,16-pentamethyl-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-amine
386.70
6.6
2
2
24.06
3
(4S,5R)-4-hydroxy-4-[(E,3S)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
404.50
-1.8
6
9
156.91
6
(1S,2R,5R,6R,9S,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
428.60
6.7
1
3
38.69
4
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
440.70
8.1
1
2
37.3
2
Bulbocapnine
325.40
2.9
1
5
51.16
1
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
440.50
5.2
5
7
127.45
6
(2S,7R,11R)-7,11,15-trimethyl-3-methylidenehexadecane-1,2-diol
312.50
7.3
2
2
40.46
14
Trijuganone B
280.30
2.5
0
3
43.37
0
Reserpine N-Oxide
624.70
3.5
1
10
137.6
10
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
578.50
-0.2
8
14
228.97
6
Sempervirol
286.50
6.7
1
1
20.23
1
Senegenin
537.10
5.1
4
6
115.06
3
Senegenic acid
488.70
4.9
4
6
115.06
2
(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
536.70
0.3
6
9
164.75
4
(2R,3R)-3,5,7-trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
482.40
2.1
6
10
166.14
4
(2R,3S)-3,5,7-trihydroxy-2-[(2S,3R)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
482.40
2.1
6
10
166.14
4
Silychristin B
482.40
2.1
6
10
166.14
4
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