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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,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
883.80
1.2
2
20
272.98
14
N-Formylloline
182.22
-0.4
0
3
32.78
1
[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
592.70
3
0
11
144.03
14
[(1R,4R,4aR,5S,7R,8S,8aR)-4a-(acetyloxymethyl)-5-hydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
508.60
1.9
2
9
131.89
10
Ajugamarin B1
550.60
2.4
1
10
137.96
12
3,6,6-Trimethylcyclohepta-2,4-dien-1-one
150.22
2.1
0
1
17.07
0
23-Aldehydepomolic acid
486.70
5.1
3
5
94.83
2
Methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
206.19
-2
4
6
107.22
2
Caespitol
432.60
4.1
1
2
29.46
1
Isocaespitol
432.60
4.1
1
2
29.46
1
CID 14314519
462.50
1.2
1
9
124.8
6
CID 14314520
462.50
1.2
1
9
124.8
6
(E,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enal
440.70
8.4
1
2
37.3
5
Cycloartane-3I(2),25-diol
444.70
8.5
2
2
40.46
5
(24S)-Cycloartane-3|A,24,25-triol
460.70
7.3
3
3
60.69
5
(3S,3aS,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-9,11-diol
460.70
7.4
3
3
60.69
1
(E,6R)-2-(hydroxymethyl)-6-[(1S,3R,6R,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
472.70
7.2
3
4
77.76
6
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-6-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
468.80
10.7
0
2
26.3
7
Euscaphic Acid Methyl Ester
502.70
5.3
3
5
86.99
2
Tormentic acid methyl ester
502.70
5.3
3
5
86.99
2
Calenduloside H methyl ester
971.10
3.1
10
19
301.05
11
Calenduloside E, Monomethyl ester
646.80
6.5
4
9
142.75
5
(4aR,10aS)-5-acetyloxy-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
374.50
5
2
5
83.83
4
(1R,8S,10S)-8-ethoxy-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
374.50
4.3
2
5
75.99
3
1-Ethylnaphthalene
156.22
4.4
0
0
0
1
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