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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
(4aR,6aR,6aR,6bR,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one
426.70
9.8
0
1
17.07
0
(3S,3aR,4S,6E,10E,11aR)-4-hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde
280.32
0
2
5
83.83
2
(4R,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-2,4a,5,6,6a,7,8,9,10,13,14,14a-dodecahydro-1H-picen-3-one
440.70
8.4
1
2
37.3
1
1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene
338.40
6
0
3
27.69
7
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-(3-methylbut-2-enyl)phenol
310.40
5.4
2
3
49.69
5
(3bR,5aR,7S,9aR,9bS)-7-ethenyl-7,9b-dimethyl-4,5,6,8,9,9a,10,11-octahydro-3bH-naphtho[2,1-e][2]benzofuran-5a-ol
300.40
4.7
1
2
33.37
1
(3bR,5aR,7S,9aR,9bS)-7-ethenyl-5a-hydroxy-7,9b-dimethyl-3,3b,4,5,6,8,9,9a,10,11-decahydronaphtho[2,1-e][2]benzofuran-1-one
316.40
3.5
1
3
46.53
1
Gancaonin X
338.40
4.2
1
4
47.92
2
Cyanidin 3-O-(6''-malonyl-3''-glucosyl-glucoside)
697.60
11
18
314.12
11
Kanzonol F
420.50
5.5
1
5
57.15
3
(6S,6aS,9aR,9bR)-3-[2-[(3R,3aR,6S,6aS,9aR,9bR)-3-hydroxy-6,9a-dimethyl-2,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydroazuleno[4,5-b]furan-3-yl]ethyl]-6,9a-dimethyl-5,6,6a,7,8,9b-hexahydro-4H-azuleno[8,7-b]furan-2,9-dione
512.60
3.4
1
7
106.97
3
(1'R,2'S,3S,5'S,6'S,8'S,11'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2,3'-dione
336.40
0.9
1
3
58.64
1
methyl (E)-2-[(3S,6'S,7'S,8'aS)-6'-ethyl-4-hydroxy-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
400.50
2
2
6
88.1
5
(1R,4R,5R,8R,10R,11R,13R,14R,17R,18S,19S,20R)-10,11-dihydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosan-22-one
472.70
6.7
2
4
66.76
0
[(1R,2R,5S)-4-methylidene-1-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate
194.27
2.3
0
2
26.3
3
(1R,4R,6R,8R,10R,11Z,14R)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one
250.25
0.4
1
5
64.99
0
(E,5R)-8-hydroxy-8-methyl-5-propan-2-ylnon-6-en-2-one
212.33
2
1
2
37.3
6
Kanzonol I
436.50
6.1
1
5
57.15
5
[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
508.50
-1.1
7
12
195.6
8
[(1S,4aR,5S,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
492.50
-0.7
6
11
175.37
8
methyl (1S,4aR,5S,6R,7R,7aS)-6-chloro-4a,5,7-trihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
456.80
-2.8
7
12
195.6
5
galloyl(-3)[galloyl(-6)]Glc
484.40
-0.8
9
14
243.9
7
ethyl (6aR)-1-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
501.50
1.5
4
9
138.15
6
[(1R,4S,5S,6S,8S,9S)-8-hydroxy-6-methyl-2-oxo-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-5-yl] 2-(4-methoxyphenyl)acetate
427.50
2.8
1
6
76.07
5
(1R,2R,6S,10S,11R,13S,14R,15R)-1,13,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
348.40
-0.1
4
5
97.99
1
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