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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
[(1R,2S,4S,6S,8S,9Z,11S)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylpropanoate
392.40
2.3
0
7
91.43
5
[(1R,2S,5S,7R,8S,9S,10S,11R,18R)-7-acetyloxy-9,18-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate
434.50
2.1
2
7
102.29
4
[(1R,2S,5S,7S,8R,9S,10S,11R,18R)-7-acetyloxy-9,18-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate
434.50
2.1
2
7
102.29
4
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
594.50
-2.3
11
15
271.2
5
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
594.50
-2.3
11
15
271.2
5
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
594.50
-2.3
11
15
271.2
5
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
594.50
-2.3
11
15
271.2
5
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,3R,4S,8R,9R,12S)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylate
478.60
2
4
8
133.52
5
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylate
478.60
2
4
8
133.52
5
(7E)-8-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-6-methylocta-3,5,7-trien-2-one
274.40
3.6
1
2
37.3
4
(4R)-3,5,5-trimethyl-4-[(E,3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
502.60
-2
6
11
175.37
7
[10-[2,3,4,7,8,9-Hexahydroxy-12,17-dioxo-19-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
1220.80
3
19
33
576.29
5
methyl (1R,2S,4aR,4bS,7R,8S,8aR,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]-2-hydroxy-1,4a,8-trimethyl-9-oxo-3,4,4b,5,6,7,8,8a,10,10a-decahydro-2H-phenanthrene-1-carboxylate
451.60
3.3
1
7
93.14
8
(1S,4S,5R,8R,10S,13R,14R,17S,18R,23S)-10,23-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-2-one
472.70
5.9
2
4
66.76
0
6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
592.50
-0.4
8
14
228.97
5
3-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-4-one
344.30
2.6
2
7
98.36
4
3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
478.40
0.1
7
12
199.51
5
[(2R,3R,4R,5R,6R)-6-(4,7-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy-3,4-dihydroxy-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
620.60
-0.2
7
15
238.97
7
[(3R,7S,10R,11R)-10-hydroxy-3,7,11-trimethylhexadecyl] benzoate
404.60
8.8
1
3
46.53
17
(2R,3S)-2-(5-hydroxy-1,6-dioxo-7-phenylbenzo[de]isoquinolin-2-yl)-3-methylpentanoic acid
403.40
3.9
2
5
96.6
5
(1R,2S,6R,8S,9S,10R,11S,12S,13S,14S,17S)-9,10,13-trihydroxy-2,6,11,17-tetramethyl-7,15-dioxapentacyclo[12.2.1.02,12.05,11.06,8]heptadec-4-ene-3,16-dione
364.40
-1
3
7
116.59
0
N-[(1S)-1-[(6S,8R,11R,12S,15S,16R)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]ethyl]acetamide
426.70
5.6
1
2
32.34
3
8-(4,7-dihydroxy-2-propan-2-ylidene-3H-1-benzofuran-5-yl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
434.40
4.9
3
7
109.36
1
[(1R,2S,6R,9R,10S,11R,12R,13S,14S,15R,16S,17R,18R,19S,22S,23S,25R)-10,12,14,16,17,23-hexahydroxy-22-[(3S)-3-hydroxy-3-methyl-2-oxopentoxy]-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate
723.90
0.7
7
13
206.68
9
4,8-Dihydroxy-7-methoxy-6-(3-methylbut-2-enyl)furo[3,2-b]xanthen-5-one
366.40
5.1
2
6
93.04
3
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