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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
(1S,2S,7S,9R,13R,17S)-4,5,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
404.50
1.7
0
7
88.13
3
(2S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2,3-dihydroindole-2-carboxylic acid
871.80
0.3
10
20
321.36
15
(2S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,3-dihydroindole-2-carboxylic acid
827.70
0
11
19
323.13
13
(2S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2,3-dihydroindole-2-carboxylic acid
857.80
-0.1
11
20
332.36
14
(2S)-6-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-1-[(E)-3-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]-2,3-dihydroindole-2-carboxylic acid
1003.90
-1.5
13
24
391.28
17
(1R,3S,5R,6aS,7R,8R,10S,10aS)-1,3,10-trimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-ol
392.50
3.8
1
5
57.15
7
H-Ala-Arg-Cys(1)-Cys(2)-Leu-Val-Met-Pro-Val-Pro-Pro-Phe-Ala-Cys(1)-Val-Lys-Phe-Cys(2)-Ser-OH
2067.60
-1.3
22
29
795.4
29
(4aR,7S,10aS,11R,11bR)-7,11-dihydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
332.40
2.2
2
4
66.76
0
(4aR,10aS,11R,11bR)-11-hydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,10a,11-octahydronaphtho[2,1-f][1]benzofuran-7,9-dione
330.40
3.2
1
4
63.6
0
(4aR,7S,10aS,11R,11aS,11bR)-7,11-dihydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,7,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
332.40
2.4
2
4
66.76
0
(1S,2S,7S,9R,13S,17S)-13-hydroxy-4,5,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
420.50
0.7
1
8
108.36
3
(1S,2S,7R,9R,17R)-14-(hydroxymethyl)-4,15-dimethoxy-2,17-dimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione
388.40
0.8
1
7
99.13
3
[(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1-acetyloxy-10-hydroxy-9-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 3-methylbutanoate
652.80
6.5
2
10
137.82
15
[(1R,3R,5R,6aS,7S,8S,9R,10R,10aS)-10-hydroxy-9-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,3-dimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate
610.70
6
2
9
120.75
14
[(1S,3S,5R,6aS,7R,8R,10S,10aS)-1-acetyloxy-3,10-dimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] propanoate
476.60
4.9
0
7
80.29
11
6-Hydroxy-20-methoxy-15,15,16-trimethyl-3,12,17-trioxapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(20),2(10),4(9),5,7,13,18-heptaen-11-one
366.40
4.4
1
6
82.04
1
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11R,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-4,5-dihydroxyoxan-3-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,8aS,11S,12aS,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
824.90
3.6
9
16
270.2
8
(6aR,11aR,11bS)-11b-hydroxy-9-methoxy-2,6,6a,11a-tetrahydro-1H-[1]benzofuro[3,2-c]chromen-3-one
288.29
0.6
1
5
64.99
1
3-(2-hydroxy-4-methylphenyl)-5-methoxy-6-(3-methylbut-2-enyl)-2H-chromen-7-ol
352.40
5
2
4
58.92
4
3,5-Dihydroxy-4,6,6-trimethyl-2-(3-methylbutanoyl)cyclohexa-2,4-dien-1-one
252.31
2.3
2
4
74.6
3
3,5-Dihydroxy-4,6,6-trimethyl-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one
300.30
2.9
2
4
74.6
4
(2S,3S,4S,5R,6R)-6-[[(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]-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
778.90
3.5
7
14
229.74
6
3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)chromen-4-one
372.40
2.9
5
7
131.36
4
3-(2,4-Dihydroxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
352.40
4.4
2
5
79.9
4
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