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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
2-[(1s)-2-(4-Hydroxy-3-methoxyphenyl)-1-methylethyl]-6-methoxy-4-(prop-2-enyl)phenol
328.40
4.8
2
4
58.92
7
(1R,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-2-en-7-one
362.40
-0.5
4
6
107.22
0
(1R,2E,7R,9S,13S)-7-hydroxy-1,5,9,12,12-pentamethyl-16-oxatricyclo[11.2.1.03,7]hexadeca-2,5-diene-4,8-dione
332.40
2.8
1
4
63.6
0
(3S,4S)-5,6,7-trihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4-dihydroisochromen-1-one
510.40
-0.4
8
13
215.83
6
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
838.80
0.2
11
20
317.35
11
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
692.70
1.3
9
16
258.43
9
(3R,5R,7R,8R,9R,10S,13S,17S)-17-[(2S,3R,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
520.70
4.4
4
6
99.38
4
(3R,5R,7R,8R,9R,10S,13S,17S)-17-[(2R,3R,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
520.70
4.4
4
6
99.38
4
[(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-4-yl] acetate
292.40
2.8
1
4
59.67
2
(3R,3aR,5aR,9S,9aR,9bS)-3a-hydroxy-3,9,9a-trimethyl-3,5,5a,6,7,8,9,9b-octahydrobenzo[g][1]benzofuran-2,4-dione
266.33
2.3
1
4
63.6
0
[(4aR,5S,8R,8aR)-3-(hydroxymethyl)-4a,5-dimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
332.40
3.8
1
4
59.67
4
[(4S,4aR,5S,8R,8aR)-4-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
332.40
3.9
1
4
59.67
3
[(4aR,5S,8R,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
316.40
5
0
3
39.44
3
[(3R,4S,4aR,5S,8R,8aR)-4-hydroxy-3,4a,5-trimethyl-2-oxo-3,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
348.40
2.9
1
5
72.83
3
Viguiepenol
288.50
5.5
1
1
20.23
1
(2S,3S)-8-[(R)-[(2S)-4,6-dihydroxy-2,3-dihydro-1-benzofuran-2-yl]-(3,4-dihydroxyphenyl)methyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
562.50
3.5
9
11
200.53
4
2-[(4R)-16-methoxy-5,12-dioxa-10-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),7,10,13,15-hexaen-4-yl]propan-2-ol
299.32
2.9
1
5
64.72
2
[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate
964.80
-0.8
14
25
404.34
15
16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 1-O-[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (2E,4E,6E,8E,10E,12E,14E)-hexadeca-2,4,6,8,10,12,14-heptaenedioate
920.90
-4.5
14
24
391.2
20
Liriodenine
275.26
3.4
0
4
48.42
0
3,5,7-Trihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
370.40
2.8
5
7
131.36
4
(1R,5R,7S)-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
468.70
7.7
1
4
71.44
8
methyl (3R)-3-(3,4-dihydroxyphenyl)-3-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]propanoate
484.50
2.2
7
10
177.14
6
methyl (3S)-3-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3-(2,4,5-trihydroxyphenyl)propanoate
500.40
0.8
8
11
197.37
6
methyl (3R)-3-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3-(2,4,5-trihydroxyphenyl)propanoate
500.40
0.8
8
11
197.37
6
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