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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
methyl 2-[(1S,5R,6R,12R,14S,15R,17S,18S)-14-acetyloxy-6-(furan-3-yl)-17-hydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadeca-2(11),9-dien-18-yl]acetate
524.60
1.4
1
9
129.34
6
(1R,2S,4S,8R,9S)-1',6'-dimethoxy-2'-oxospiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodec-6-ene-2,3'-indole]-7-carbaldehyde
370.40
0.9
1
6
77.1
3
(1R,2R,9R,17R)-9-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-3-en-6-one
262.35
0.4
1
3
43.78
0
(1R,2S,3R,9S,17S)-3-hydroxy-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
278.35
0.1
1
3
63.6
0
(1R,2S,3R,9R,17R)-3,9-dihydroxy-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
294.35
-1
2
4
83.83
0
(1S,2S,4S,7S,8S,9S,12S)-7-ethyl-7,12-dihydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
374.40
0.1
3
6
91.26
2
(1R,2S,4S,7S,8R,9S)-7-hydroxy-7-(1-hydroxyethyl)-1',6'-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
404.50
-0.1
3
7
100.49
3
2-(3-Ethoxy-3-oxopropyl)indolo[2,3-a]quinolizine-3-carboxylic acid
362.40
3.8
1
5
80.9
6
(3S,3aR,7S,8aS)-3,7-dimethyl-6-(3-oxobutyl)-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
250.33
2
0
3
43.37
3
(3S,3aR,7S,8aS)-6-(3-hydroxybutyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
252.35
2.5
1
3
46.53
3
(3aR,7S,8aS)-6-(3-hydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
250.33
2.4
1
3
46.53
3
[(1R,3aR,4R,8aR)-8a-hydroxy-3a,6-dimethyl-1-propan-2-yl-1,2,3,4,7,8-hexahydroazulen-4-yl] 4-methoxybenzoate
372.50
4.7
1
4
55.76
5
1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-5-yl]propan-1-one
410.50
5.9
3
5
86.99
7
1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4-dihydrochromen-5-yl]propan-1-one
428.50
4.6
4
6
107.22
8
(3R)-5,6-dihydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
316.30
2.8
3
6
96.22
3
(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylene]-8-methoxy-chroman-4-one
314.29
2.8
3
6
96.22
2
(3R)-3',5,7-trihydroxy-4'-methoxyspiro[2H-chromene-3,7'-bicyclo[4.2.0]octa-1,3,5-triene]-4-one
314.29
1.4
3
6
96.22
1
1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-(4-methoxy-4-methylpentyl)-2-methyl-3,4-dihydrochromen-5-yl]propan-1-one
442.50
5.1
3
6
96.22
9
3-[3,8-Dihydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4-dihydrochromen-5-yl]-1-(2,4-dihydroxyphenyl)propan-1-one
444.50
3.6
5
7
127.45
8
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
670.60
2.4
8
16
255.27
10
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
610.50
2.5
8
14
236.81
8
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
594.50
2.8
7
13
216.58
8
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
608.50
2.6
6
13
205.58
9
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (Z)-3-phenylprop-2-enoate
562.50
3
5
11
176.12
8
(1R,2S,4S,7Z,8R,9S)-7-ethylidene-1',6'-dimethoxy-2'-oxospiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-5-carbaldehyde
398.50
1.2
0
5
68.31
2
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