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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
Macrocarpal H
472.60
6
4
6
115.06
7
[(4R,4aR,5S,7R,8S,8aR)-8-[(2S,3aS,5S,6aR)-5-ethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-5-acetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
480.60
3.4
0
8
92.82
8
Dulciol C
482.60
6.5
5
7
131.36
7
ethyl (2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate
482.70
7.9
0
3
43.37
3
(2Z)-2-[(1R,3S,5R,6S,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-3-[(1E,3E,5E,7E)-2,6,10-trimethylundeca-1,3,5,7,9-pentaenyl]-2-oxaspiro[4.5]decan-9-ylidene]propanal
484.70
5.2
3
5
86.99
9
2-[(1S,2S,4aR,8R,8aS)-8-[[(3aS,5aR,9S,9aS,9bS)-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9-yl]oxy]-1-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enal
484.70
5.7
1
5
72.83
4
bis(1H-indol-3-ylmethyl)-dimethylazanium
304.40
3.5
2
0
31.58
4
(3R,4R,4aR,5R,6aR,6aS,6bR,10S,12aR,14bS)-3,4,5,10-tetrahydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde
488.70
4.5
4
5
97.99
1
Santene
122.21
2.2
0
0
0
0
(2S,3R,4S,5S,6R)-2-[[(1R,2R,4R,6R,7R,10R,11R,12S,14S)-6,14-dihydroxy-6,11,15,15-tetramethyl-16-oxapentacyclo[8.5.1.14,7.01,12.04,10]heptadecan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
498.60
0.2
6
9
149.07
3
Methoxyphenylacetic acid
166.17
1.4
1
3
46.53
3
Avnxwypjfufaoz-ohnzcqhasa-
502.70
7.1
4
5
97.99
6
coumaroyl(3-OH)(-6)Glc(a1-2b)Tagf
504.40
-2.3
9
14
236.06
9
(2S)-3-(4-hydroxyphenyl)-2-[(E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxypropanoic acid
506.50
0.9
7
12
203.44
10
Tenuecyclamide C
506.60
1.7
3
10
220.89
3
(2S,3R,4R,5R,6S)-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxane-3,4,5-triol
508.50
-4.3
8
14
220.52
6
(1S,7aS,11aS)-1,5-dihydroxy-8,8,11a-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-3-one
508.60
2
6
10
166.14
4
Ceanothetric acid
516.70
6.1
4
7
132.13
4
3-Phenylpiperidine
161.24
2
1
1
12.03
1
methyl (1R,2R,3S,3aR,8bS)-3a-(3,4-dimethoxyphenyl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
522.50
3.2
2
9
112.91
8
o-Tolunitrile
117.15
2.2
0
1
23.79
0
methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
534.50
3.1
1
10
118.98
8
Dodecen-3-ol
184.32
4.7
1
1
20.23
9
(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
566.50
0.9
5
13
190.67
10
Fenchyl acetate
196.29
3.1
0
2
26.3
2
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