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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
Phochinenin G
482.50
5.9
4
6
99.38
3
6-(4,7-Dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxy-9,10-dihydrophenanthrene-2,5-diol
482.50
5.9
4
6
99.38
3
3-[4-Hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]-7-methoxy-9,10-dihydrophenanthrene-2,5-diol
484.50
6.2
4
6
99.38
6
3-[2-Hydroxy-4-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]-7-methoxy-9,10-dihydrophenanthrene-2,5-diol
484.50
6.2
4
6
99.38
6
8-[4-Hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]-7-methoxy-9,10-dihydrophenanthrene-2,5-diol
484.50
6.2
4
6
99.38
6
8-[2-hydroxy-6-[(E)-2-(3-hydroxyphenyl)ethenyl]-4-methoxyphenyl]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
482.50
6.3
4
6
99.38
5
Niazimicin A
357.40
0.7
4
7
132.5
6
1-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]anthracene-9,10-dione
548.50
-1.5
7
13
212.67
6
(3S)-3-[(3,4-dihydroxyphenyl)methyl]-5,7-dihydroxy-6-methoxy-2,3-dihydrochromen-4-one
332.30
2.5
4
7
116.45
3
5,7-Dihydroxy-3-[4-hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
424.50
5.1
4
6
111.13
6
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,7R,9S,10R,13S,15S)-15-hydroxy-5,5,9-trimethyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]oxane-3,4,5-triol
466.60
2.3
5
7
119.61
3
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7R,7aR)-4a,5-dihydroxy-4,7-dimethyl-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
362.37
-2.1
6
9
149.07
3
methyl (1S,4S,7S,9S,10S,12R,15S)-7-(furan-3-yl)-4-hydroxy-9-methyl-5,14-dioxo-6,13-dioxatetracyclo[10.2.2.01,10.04,9]hexadecane-15-carboxylate
404.40
1.3
1
8
112.27
3
methyl (1S,2S,4S,7S,9S,10S,12R,15S)-2-acetyloxy-7-(furan-3-yl)-4-hydroxy-9-methyl-5,14-dioxo-6,13-dioxatetracyclo[10.2.2.01,10.04,9]hexadecane-15-carboxylate
462.40
0.9
1
10
138.57
5
7-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-7-[(Z)-4-hydroxy-3-methylbut-2-enyl]-2-(2-hydroxypropan-2-yl)-5-(2-methylpropanoyl)-2,3-dihydro-1-benzofuran-6-one
500.70
5.5
3
6
104.06
11
[5-(5-Thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 3-methylbut-2-enoate
360.50
5.5
0
5
111.02
6
Elemicin
208.25
2.5
0
3
27.69
5
[(1S,4R,5R,6S)-4-(1,3-benzodioxol-5-yl)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-yl]-pyrrolidin-1-ylmethanone
542.60
4.5
0
6
77.54
5
[(1R,4S,5S,6R)-4-(1,3-benzodioxol-5-yl)-6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-yl]-pyrrolidin-1-ylmethanone
542.60
4.5
0
6
77.54
5
(1R,4S,5R,8R,10S,13R,14R,17R,18R)-10-hydroxy-5,9,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-23-one
442.70
7
1
3
46.53
0
(1S,2R,4S,4aS,6aR,6aR,6bR,8aR,12aR,14bS)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid
500.70
5
3
6
111.9
2
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-14-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
780.90
2.2
8
14
232.9
7
7-hydroxy-5-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
354.31
-0.5
5
9
149.82
3
[(2R,3S,4S,5R,6S)-6-(7-acetyl-8-hydroxy-6-methylnaphthalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
420.40
1.3
4
9
142.75
6
[(2S,3R,4S,5R,6S)-4,5-dihydroxy-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,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]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] dodecanoate
1267.50
7.7
9
25
353.27
27
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