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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,6S)-6-(3,4-dihydroxyphenyl)-5-(3,5-dihydroxyphenyl)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohept-2-en-1-one
444.50
4.1
5
6
118.22
4
Sacranoside B
448.50
-0.8
6
10
158.3
9
(Z,6S)-2-methyl-6-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
454.70
7.3
1
3
54.37
5
1-[(3R,5R,10R,13S,17S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3-propan-2-ylazetidin-2-one
456.70
6.1
0
3
40.62
4
1,3,5,6-Tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone
464.50
7.9
4
6
111.13
6
Silyhermin
466.40
2.6
5
9
145.91
4
(2Z)-2-[(2R,3S,4S)-4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,5E)-4-methyl-6-[(1R,3S)-2,2,3-trimethyl-6-methylenecyclohexyl]-3,5-hexadien-1-yl]cyclohexylidene]propanal
470.70
6.5
2
3
57.53
9
Diphenylacetylene
178.23
4.8
0
0
0
2
[(2S,6R,7R,9R,11S,12R,14S)-11-acetyloxy-9-(chloromethyl)-9-hydroxy-14-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl] (E)-4-hydroxy-2-methylbut-2-enoate
470.90
0.6
2
9
131.89
7
Isorhamnetin 3,7-di-O-sulfate
476.40
1.3
4
13
223.86
6
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
478.40
0.7
7
12
199.51
5
Isolindleyin
478.40
0.8
6
11
183.21
9
Lethedoside A
490.50
0.9
4
11
157.28
7
Tenuiorin
496.50
6.2
3
10
148.82
9
Demethylzeylasterone
496.60
6.3
4
7
132.13
2
sideroxylonal A
500.50
5
5
10
178.66
8
[(3R,4R,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-[methyl(3-methylbut-2-enoyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
500.80
6.9
0
4
49.85
6
Littoralisone
504.50
0.2
4
11
161.21
2
(1R,2S,3R,6R,8R,13S,14R,15R,16S,17R)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid
506.50
0.6
4
11
176.89
4
Aviculin
506.50
1
6
10
158.3
7
[(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
506.80
12.9
0
2
26.3
25
(3S,4S)-7-hydroxy-3-[(3S,4S)-7-hydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
510.50
4.6
4
8
133.52
3
Tuberculatin
512.50
2.2
3
11
142.37
6
[(1R,3S,3aS,5R,6aR,7S,8S,10R,10aR)-1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-5-yl] (E)-2-methylbut-2-enoate
518.60
5.6
1
8
108.36
10
Methyl (4S,5Z,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
524.50
-0.1
5
12
181.44
11
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