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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
N-[(2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]benzamide
403.40
0.4
5
7
128.48
7
[(3aR,4S,7S,9S,10Z,11aS)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
362.40
1.5
2
6
93.06
3
2-(5-ethylpyridin-2-yl)ethyl 2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl carbonate
491.60
6.6
0
7
87.86
10
[(1S,2Z,4R,8R,9S,11S,12S)-12-hydroxy-11-(hydroxymethyl)-2-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate
378.40
1.4
2
7
102.29
4
(2Z)-2-[(1R,3R,5R,10R,14S)-14-hydroxy-3-[(1E,3E)-4-[(1R,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-14-methyl-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal
484.70
4.2
2
5
75.99
5
4-(7,7-Dimethylfuro[2,3-f]chromen-2-yl)benzene-1,3-diol
308.30
4.2
2
4
62.83
1
Pent-2-ynal, 4,4-dimethyl-
110.15
2
0
1
17.07
1
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(6-methoxy-2-oxochromen-7-yl)oxyoxan-2-yl]methyl 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
666.60
-0.8
7
17
253.5
11
(2Z)-2-[(2S,2'R,4'S,4aS,7S,7aR)-2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4'-hydroxy-4-(hydroxymethyl)-2'-(3-hydroxypropyl)-4'-methylspiro[4a,5,6,7a-tetrahydro-2H-cyclopenta[b]pyran-7,3'-cyclohexane]-1'-ylidene]propanal
486.70
3.5
3
5
86.99
9
[(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-9-acetyloxy-2-(furan-3-yl)-4a,10-dihydroxy-10b-methyl-4-oxo-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-7-yl] (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
732.70
1
6
16
241.11
11
(1R,6R,11R,12R,15R,16R)-15-[(2R,5S)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-7,7,16-trimethyl-6-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid
754.90
2
8
13
215.83
10
methyl (1S,12R,14R,15E,18S)-12-[(2R,3E,5R,12bS)-3-ethylidene-9-hydroxy-2-(2-hydroxyethyl)-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-8-yl]-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
693.90
3.7
5
6
121.81
6
[(1R,2R,3R,7S,8R,9S,11S,13R)-1,2,9-trihydroxy-9,13-dimethyl-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.03,7]tetradecan-8-yl] (Z)-2-methylbut-2-enoate
396.40
1
3
8
122.52
3
(1R,5R,6S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-16-[(2S,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
864.80
3.3
14
18
320.14
4
4-[(2R,3S)-3-(hydroxymethyl)-5,6-dimethoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
332.30
2.1
2
6
77.38
5
[(3R,3aR,4S,5R,6R,10R,11R,11aS)-4,10-dihydroxy-3-(methoxymethyl)-6,10-dimethyl-5-(3-methylbutanoyloxy)-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydro-3H-cyclodeca[b]furan-11-yl] (Z)-2-methylbut-2-enoate
512.60
2
2
10
145.66
9
[(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-2-(furan-3-yl)-4a,9,10-trihydroxy-10b-methyl-4-oxo-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-7-yl] (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
690.70
0.4
7
15
235.04
9
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-[2-(4-fluorophenyl)ethylamino]acetate
493.60
6.1
1
7
77.77
10
(1R,6R,11R,12R,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7,7,16-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid
652.90
3.5
7
10
177.14
9
methyl (4R,4aR,5R,6aS,7R,11aS,11bS)-11b-(acetyloxymethyl)-5-hydroxy-4,7-dimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-4-carboxylate
404.50
3.2
1
6
85.97
5
(1R,6R,8R,11R,12R,15R,16R)-6-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-15-[(2R,5S)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-7,7,16-trimethyltetracyclo[9.7.0.03,8.012,16]octadec-3-ene-12-carboxylic acid
827.00
2.4
8
15
242.13
13
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(ethylamino)acetate
399.50
4.4
1
6
77.77
8
(2E)-2-[(1R,3R,5R,10R,14S)-14-hydroxy-3-[(1E,3E)-4-[(1R,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-14-methyl-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal
484.70
4.2
2
5
75.99
5
[(2S,4aS,6aS,7S,9S,10R,10aR,10bS)-9-acetyloxy-2-(furan-3-yl)-4a,10-dihydroxy-10b-methyl-4-oxo-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-7-yl] (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
732.70
1
6
16
241.11
11
[(1R,2S,4R,6S,8S,9Z,11S)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (E)-2-methylbut-2-enoate
362.40
1.9
1
6
85.36
3
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