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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
4-(4-methoxy-7,8,8-trimethyl-7H-furo[2,3-g][1]benzofuran-2-yl)benzene-1,3-diol
340.40
4.6
2
5
72.06
2
2-(3-hydroxy-3-methylbutyl)-4-[(7R)-5-methoxy-2,2-dimethyl-4,6,7,8-tetrahydro-3H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol
442.50
4.5
3
6
88.38
5
(2S,3R,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aR,14aR,14bS)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
881.00
3
8
18
293.34
9
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aR,14aR,14bS)-9-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
824.90
2.5
9
16
270.2
7
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-formyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
806.90
3.7
7
15
246.81
7
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aS,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,6a,6b,8a,11,14b-hexamethyl-2,3,4,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
794.90
4.4
8
15
249.97
7
5-[[(2R,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
722.60
-2.7
11
18
314.57
10
3-(2,4-dihydroxyphenyl)-5-methoxy-8,9,9-trimethyl-8H-furo[2,3-h]chromen-2-one
368.40
4.1
2
6
89.13
2
3-(2,4-dihydroxyphenyl)-8-(hydroxymethyl)-5-methoxy-9,9-dimethyl-8H-furo[2,3-h]chromen-2-one
384.40
3.1
3
7
109.36
3
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aS,6bR,8aS,11S,12aS,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
806.90
4.5
8
15
249.97
7
(2S,3R,4S,5S,6R)-2-[[(1S,6R,7R,7aS)-6,7-dihydroxy-7-methyl-6,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
346.33
-2.7
6
9
149.07
3
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aR,14aR,14bS)-9-acetyloxy-11-formyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
865.00
2.9
7
17
273.11
9
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
822.90
3.7
8
16
267.04
7
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11R,12aR,14aR,14bS)-9-acetyloxy-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
897.00
1.7
9
19
313.57
10
1,3-Dimethoxy-2-(3-methylbut-2-enyl)-6,11b-dihydro-[1]benzofuro[2,3-c]chromene-6a,9-diol
384.40
3.9
2
6
77.38
4
7-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2-[5-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol
460.60
9
2
4
62.83
9
(2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-methoxy-2,3-dihydrochromen-4-one
302.28
1.8
3
6
96.22
2
(5R)-3-methoxy-5-octyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
291.40
5.7
1
3
42.09
8
(5S,8R)-3,8-dimethoxy-2-methyl-5-(5-phenylpentyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
369.50
5.1
1
4
51.32
8
(5R)-2-(hydroxymethyl)-3-methoxy-5-octyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
321.50
4.8
2
4
62.32
9
(2R)-2-[(1S)-1-hydroxy-1-[(6S,8R,9S,10R,13S,14R,17S)-6,14,17-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
486.60
1.4
4
7
124.29
2
3-hydroxy-2-[(1S,2S)-2-(2-methoxyacetyl)-1,3,3-trimethylcyclohexyl]-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
362.50
3.8
1
5
80.67
5
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
604.90
9.4
3
5
86.99
7
[(2R,3R,4S,5R,6S)-3,4-diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
824.70
5.9
5
17
255.02
16
[(2R,3R,4S,5R,6S)-3,4-diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
824.70
5.9
5
17
255.02
16
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