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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,4R,4aS,7R,8R,8aR)-8-[2-(furan-3-yl)ethyl]-1,7-dihydroxy-7,8-dimethyl-5-oxospiro[2,3,6,8a-tetrahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
406.50
0.7
2
7
109.5
6
(1S,4R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-ol
210.31
1.7
2
2
40.46
2
3-[(1S,4R,6S,9S,10R,13R,14R)-6-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one
532.70
2.6
2
8
111.52
4
[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
397.50
0.8
2
7
116.12
9
(2S)-2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-benzofuran-3-one
434.40
-0.5
7
10
177.14
4
(2R)-2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-benzofuran-3-one
434.40
-0.5
7
10
177.14
4
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-L-glucopyranoside
432.40
-0.1
6
10
170.05
4
(1S,2Z,4R,6Z,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol
304.50
3.5
2
2
40.46
1
(1R,3R,5S,6Z,8R,10Z,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-diene-5,8-diol
320.50
2.9
2
3
52.99
1
(1R,3R,4Z,6S,8S,10Z,13Z)-1,5,11-trimethyl-8-prop-1-en-2-ylcyclotetradeca-4,10,13-triene-1,3,6-triol
320.50
2.8
3
3
60.69
1
(1S,2Z,4R,7S,10Z,13S)-2,10-dimethyl-6-methylidene-13-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,4,7-triol
320.50
2.5
3
3
60.69
1
Friedelinol
428.70
10.1
1
1
20.23
0
[(1S,2R,4S,6R,9Z,11S,12S)-4,9,12-trimethyl-15-propan-2-ylidene-11-(pyridine-3-carbonyloxy)-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-2-yl] pyridine-3-carboxylate
530.70
5
0
7
90.91
6
8-((2S,3R)-3-Heptyloxiran-2-yl)octa-1-en-4,6-diyn-3-one
258.35
5
0
2
29.6
9
(3S)-8-[(2R,3S)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-ol
260.40
4.5
1
2
32.76
9
[(3S)-8-[(2R,3S)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-yl] acetate
302.40
5.1
0
3
38.83
11
(1S,3S,6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
600.90
9.8
2
4
65.52
10
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (Z)-hexadec-9-enoate
663.10
16.1
0
2
26.3
15
[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] (Z)-hexadec-9-enoate
693.10
13.5
1
4
63.6
16
[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-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] (Z)-hexadec-9-enoate
679.10
14.5
1
3
46.53
16
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] (Z)-hexadec-9-enoate
677.10
15.1
0
3
43.37
15
[(1S,4S,5R,8R,10S,13S,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl] (Z)-hexadec-9-enoate
677.10
14.4
0
3
35.53
15
[(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl] (Z)-hexadec-9-enoate
693.10
13.7
0
4
48.06
15
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9S,14aR,14bS)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,13,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
911.10
2
9
17
271.59
7
Anastatin A
378.30
3.8
4
7
120.36
1
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