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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
[(1R,2S,5S,6S,9S,10R,12S,13R,16S)-6,7,13-trimethyl-16-(methylamino)-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-10-yl] 4-methylpent-3-enoate
454.70
5.4
1
4
41.57
5
Jaceoside
492.40
0.8
6
12
188.51
6
(5s,6s)-5,6-Dihydro-3,8,10-trihydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-hydroxymethyl-2,4-dimethoxy-7h-benzo[c]xanthen-7-one
508.50
3.1
5
10
159.05
5
Styraxlignolide D
520.50
1.5
5
11
164.37
9
methyl (1S,4aR,5S,6R,6aR,7S,11aS,11bS)-1,5,6-triacetyloxy-4a-hydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate
520.60
2.6
1
10
138.57
8
Sulfuric Acid
98.08
-1.4
2
4
82.98
0
[(1S,2S,3R,4R,7R,8S,12S,13S,14S,17S)-2,14-diacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate
543.00
1.7
1
10
137.96
6
[(1S,2R,3R,4S)-3-(1,3-benzodioxol-5-yl)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone
544.60
4.4
0
6
77.54
5
(1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
658.60
1.3
7
15
238.97
11
1-O-Deacetyl-1-O-tigloylohchinolide B
664.80
5.2
0
10
127.57
9
(1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
672.60
1.6
6
15
227.97
12
[(1R,2R,4S,6R,9E,11S,12S)-11-benzoyloxy-12-(benzoyloxymethyl)-15-(2-hydroperoxypropan-2-yl)-4,9-dimethyl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-2-yl] pyridine-3-carboxylate
681.80
5.5
1
10
133.78
12
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-2-[(1S,2S,4S,4'S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-4',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
724.90
1.1
7
13
196.99
4
(10S)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-10-[(9R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-6-methyl-10H-anthracen-9-one
783.00
13.1
4
8
133.52
13
Methyl propyl ether
74.12
1.2
0
1
9.23
2
Pyrolaside B
854.80
-1
14
21
347.83
12
Procyanidin C2
866.80
3.3
15
18
331.14
5
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-10-benzoyloxy-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
1107.20
2.4
11
22
347.58
14
3-Butenal, 2-methyl-
84.12
1
0
1
17.07
2
cis-Bicyclo[3.2.0]-hept-6-ene
94.15
2.4
0
0
0
0
Crocusatin J
184.23
0.1
2
3
57.53
1
(5E)-cyclopentadec-5-en-1-one
222.37
5
0
1
17.07
0
(1S,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
157.21
-0.5
2
3
43.7
1
(1S,4aR,7R,8aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-decalin-1-ol
240.38
3
2
2
40.46
1
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate
254.28
1
3
5
86.99
5
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