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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,5S,6R)-2-[2,5-dihydroxy-4-[(2S,3S)-3-[(S)-hydroxy(phenyl)methyl]oxiran-2-yl]-3-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
466.40
-0.6
7
11
181.83
7
(2S,3R,4S,5S,6R)-2-[5-hydroxy-2,3-dimethoxy-4-[(1S,2S,3S)-1,2,3-trihydroxy-3-phenylpropyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
498.50
-0.7
8
12
198.76
9
[(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
484.80
8
1
3
46.53
3
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
927.10
2.7
10
18
291.82
9
beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 2-O-alpha-L-arabinopyranosyl-
927.10
2.8
10
18
291.82
9
9-Hydroxy-4-(7-methoxy-2-oxochromen-8-yl)furo[3,2-g]chromen-7-one
376.30
3.5
1
7
103.02
2
(1S,4aR,5S,8aR)-5-[(2-methoxy-3-methyl-5-oxofuran-2-yl)methyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
362.50
3.4
1
5
72.83
4
(1R,4aR,4bR,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,10a-hexahydro-2H-phenanthrene-1-carboxylic acid
300.40
5.3
1
2
37.3
2
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4S,5R,6S)-4-decanoyloxy-5-hydroxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] decanoate
1163.50
10.4
7
21
294.35
29
(2R,3R,3aS)-2-(1,3-benzodioxol-5-yl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
340.40
3
0
5
53.99
4
(2S,3S,5S)-5-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one
386.40
3
0
6
63.22
7
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1211.30
-3.8
16
28
434.44
14
(1S,2R,3R,4S,5S,6S,8R,9R,10R,13S,16R,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
437.60
-0.1
3
7
91.62
5
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16R,17R,18R)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
479.60
0.5
2
8
97.69
7
[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1223.30
-2
16
27
433.05
15
(3I(2))-17-Carboxy-28-norolean-12-en-3-yl 4-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosiduronic acid
795.00
4
8
14
232.9
7
(3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1473.60
-1.8
17
33
515.11
22
rel-(2aR,4aS,8aS)-Decahydro-2,2,4a-trimethyl-8-methylenecyclobut[c]indene
204.35
5.1
0
0
0
0
(2R,3R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
628.50
-1.7
11
17
285.75
7
(R)-7-(Hydroxymethyl)-7,8-dihydro-6H-dibenzo[b,d]oxocine-3,7,10,11-tetraol
304.29
1
5
6
110.38
1
[(1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-yl] (3S)-3-hydroxybutanoate
375.50
2.2
1
6
68.23
5
[(1R,2S,4S,7R,8S,9S,10S,11R,12S)-8-acetyloxy-12-ethoxy-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-en-9-yl] acetate
443.60
3.3
0
6
74.19
6
(4R)-4-hydroxy-3-methylideneoxolan-2-one
114.10
-0.4
1
3
46.53
0
(2R,4aR,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-2-ol
220.35
3
1
1
20.23
1
[(1S,3R,13S,14S,17S,18R,19R,20R,21S,22S,23R,24S,25S)-22,24-diacetyloxy-20-(acetyloxymethyl)-19,21,25-trihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate
814.80
-0.8
3
18
262.61
10
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