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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
Eugenin
206.19
1.2
1
4
59.67
1
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(1S,2S,3'S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-3'-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]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1031.20
-0.7
11
21
314.83
9
4-[[5-[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1-benzofuran-5-yl]-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
536.60
3.5
4
9
130.98
9
2-[5-[(3S,3aR,6S,6aR)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxy-3-methoxyphenyl]-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
730.80
3.1
5
13
182.83
12
(2s)-7-Hydroxy-5-methoxy-6,8-dimethyl flavanone
298.30
3.2
1
4
55.76
2
8-[(2S)-2,3-dihydroxy-3-methylbutyl]-5-hydroxy-7-methoxy-2-methylchromen-4-one
308.33
1.7
3
6
100.13
4
5,7-dimethoxy-8-[(E)-3-oxobut-1-enyl]chromen-2-one
274.27
2
0
5
65.74
4
methyl (3S,4S,5R,6R,9R)-3,6-dihydroxy-2,10-dioxo-11,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),15,17,19-tetraene-5-carboxylate
398.40
1.3
3
6
119.93
2
8-[(2S,3R)-3-hydroxy-4-methylideneoxolan-2-yl]-7-methoxychromen-2-one
274.27
0.8
1
5
68.9
2
(1R,3S,3'R,3'aS,5S,6'S,6aS,6bS,7'aR,9R,11aS,11bS)-1,3,5-trihydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
459.60
1.4
4
6
99.02
0
(4aR,5S,8aR)-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-8-one
232.32
3
0
2
30.21
0
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-6,16-dihydroxy-14-[(2R,3R,4S,5S,6R)-5-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1051.20
-2.1
14
23
366.29
14
1,3,5-Tricaffeoylquinic acid
678.60
3.5
8
15
257.81
13
Dihydrocoptisine
322.30
2.5
0
4
39.93
0
4-[(2S,3R,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
358.40
2.6
2
6
77.38
5
Nb-dimethylcyclobuxoviricine
399.60
5.5
1
3
40.54
2
N-[(1S,3R,6S,7R,8R,11S,12S,14R,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-enyl]-2-methylpropanamide
486.70
5.3
3
4
72.8
5
(5R,6S,8R,9R,10R,13R,14R,17S)-6-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,12-dione
472.70
5.3
2
4
74.6
4
(5R,6S,8R,9R,10R,13R,14R,17S)-17-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-6-hydroxy-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,12-dione
488.70
3.6
3
5
94.83
4
(2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[(3S,4aS,6aR,6bS,8aR,9R,11S,12aS,14aR,14bS)-9-acetyloxy-11-carboxy-11-methoxycarbonyl-4,4,6a,6b,8a,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
909.00
2.9
8
19
310.41
10
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[(3S,4aS,6aR,6bS,8aR,9R,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-9-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
923.10
3.6
10
17
290.43
6
(2S)-7-hydroxy-2-[3-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
476.60
6.4
2
5
75.99
5
(3S,6S)-6-benzyl-3-[(4-hydroxyphenyl)methyl]morpholine-2,5-dione
311.30
2.9
2
4
75.63
4
1,3,6-trihydroxy-7-methoxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
436.40
0
7
11
190.28
3
Quercetin 3-rutinoside-7-glucoside
772.70
-3.1
13
21
348.58
9
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