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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
Nyasicoside
478.40
-0.2
9
11
200.53
7
(2R,3R,4S,5S,6R)-2-[(1S,2R)-1,5-bis(3,4-dihydroxyphenyl)-1-methoxypent-4-yn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
492.50
0.3
8
11
189.53
8
(1R,2S,3R)-2-(3,5-dihydroxyphenyl)-1-[(R)-ethoxy-(4-hydroxyphenyl)methyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
500.50
4.8
6
7
130.61
6
10-[(2R,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]oxydeca-4,6-diynoic acid
504.50
-2.4
8
13
215.83
11
Wwihqmxkphuikr-uvfbovlqsa-
506.70
5.4
5
6
118.22
6
(2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-N-tert-butyl-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxamide
509.80
7.9
1
2
46.17
2
(3R,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2S)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione
516.70
1.9
4
7
132.13
4
(2S,3R,4S)-3-ethenyl-4-[[(1R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
523.50
-2.6
7
12
187.4
8
3-Acetoxy-27-hydroxy-20(29)-lupen-28-oic acid methyl ester
528.80
7.7
1
5
72.83
6
Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-
324.40
2.9
1
4
45.59
4
alpha-Collatolic acid
526.60
5.7
2
9
136.43
14
3'-Methoxyrocaglamide
535.60
2.8
2
8
106.92
7
methyl (1R,2R,3S,3aR,8bS)-1-formyloxy-8b-hydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
536.50
2.9
2
10
129.98
9
6,7-dimethoxy-4-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzodioxol-5-yl]-1H-benzo[f][2]benzofuran-3-one
542.50
1.8
4
12
162.6
6
Oxepahyperforin
552.80
7.9
1
5
80.67
9
(1S,3S,8R,9R,10S)-3-(2-hydroperoxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
568.80
8.2
1
6
89.9
11
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
572.90
11.5
1
3
46.53
4
6-[(2R,3S,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]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
578.50
-0.7
9
14
239.97
4
5-hydroxy-2-[3-[(2R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-4-methoxyphenyl]-7-methoxychromen-4-one
582.60
5.7
3
10
144.89
6
[(1'S,2R,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',10'-tetraacetyloxy-1',13'-dihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl] acetate
610.60
0
2
13
184.49
10
[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
620.90
8.3
4
6
107.22
6
(Z)-4-[(1S,2S,19S,21R)-14-Hydroxy-8,23,23-trimethyl-5-(3-methylbut-2-enyl)-16,20-dioxo-11-prop-1-en-2-yl-3,7,22-trioxaheptacyclo[17.4.1.18,12.02,17.02,21.04,15.06,13]pentacosa-4(15),5,13,17-tetraen-21-yl]-2-methylbut-2-enoic acid
628.70
6.9
2
8
119.36
6
Cryptophycin 30
657.20
6
3
8
140.26
8
Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate
670.70
4.2
1
12
168.8
13
Suffruticosol B
680.70
6.8
8
9
171.07
4
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