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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
[(3aR,5R,8R,9E,11aS)-5-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-8-yl] acetate
306.40
1.4
1
5
72.83
2
[(2R,4aS,8S,8aR)-5-[2-(5-ethoxy-3-hydroxyoxolan-3-yl)ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate
438.60
2.3
2
7
102.29
7
methyl (1R,9R,13E)-1-amino-13-ethylidene-5-oxo-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-triene-11-carboxylate
286.33
-0.3
2
4
85.18
2
3-[3-(2,3-Dihydroxy-3-methylbutyl)-6-hydroxy-2,4-dimethoxyphenyl]propanoic acid
328.36
0.8
4
7
116.45
8
(1R,9S,10R,16S,17R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-ol
258.36
1.5
2
3
45.15
0
1-[(1S,3Z,3aS,7aS)-3-[2-(furan-3-yl)ethylidene]-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-2-benzofuran-1-yl]propan-1-one
316.40
5
0
3
39.44
4
(1S,4R,5R,6S,8R,9S,10S,13S,14R,15R,17R,19S)-10,17-dimethyl-9-(6-oxopyran-3-yl)-7,16,18,21-tetraoxaheptacyclo[15.3.1.115,19.01,14.04,13.05,10.06,8]docosane-14-carbaldehyde
454.50
2
0
7
87.5
2
(1R,9R,10S,16S,17S)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-9,17-diol
274.36
0.4
3
4
65.38
0
[(1S,3S,6S)-1-methyl-4-[(3S)-6-methyl-3-[(Z)-2-methylbut-2-enoyl]oxyhepta-1,5-dien-2-yl]-2-oxo-7-oxabicyclo[4.1.0]heptan-3-yl] (Z)-2-methylbut-2-enoate
430.50
5.3
0
6
82.2
10
(2E,4E)-5-[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]penta-2,4-dienoic acid
530.50
1.4
7
12
203.44
10
[(2R,4aS,5R,6R,7R,8aS)-5-[2-(furan-3-yl)ethyl]-5,7-dihydroxy-1,1,4a,6-tetramethyl-8-oxo-2,3,4,6,7,8a-hexahydronaphthalen-2-yl] acetate
392.50
2.8
2
6
96.97
5
(E)-4-[(1S,3R,4aS,5S,8aR)-3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-methylbut-2-enal
306.40
2.7
2
3
57.53
4
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1R,2S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),6,18-trien-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
883.00
1.3
10
17
270.82
12
5,7-Dimethoxy-2-oxochromene-6-carboxylic acid
250.20
1.4
1
6
85.97
3
1-[(1S,3R,3aS,7aS)-3-[2-(furan-3-yl)ethyl]-3-methoxy-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-2-benzofuran-1-yl]propan-1-one
348.50
4.6
0
4
48.67
6
(2R,3'R,4aS,6S,8aS)-6-ethenyl-3'-hydroxy-1',1',6,8a-tetramethylspiro[3,4,4a,5,7,8-hexahydronaphthalene-2,2'-cyclopentane]-1-one
304.50
4.8
1
2
37.3
1
(4aR,6aR,6bS,8aR,12aS,14R,14aR,14bS)-8a-hydroxy-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-4a,5,6,7,9,10,12,12a,14,14a-decahydropicene-3,8-dione
468.70
5.1
1
4
63.6
1
[(1S,3R,4R,5R,6R,7S,8R,9R,10R,12S,13S,17S)-3,6,12-triacetyloxy-4-formyl-17-(furan-3-yl)-1-hydroxy-4,8,10,13-tetramethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl] benzoate
690.80
4.6
1
11
155.64
11
3-[(1R,4S,4aR,4bR,6aR,9R,10aS,12aR)-4,6a-dihydroxy-9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9-tetramethyl-6-oxo-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoic acid
506.70
2
5
7
135.29
5
(1S,8E,18E,23R,24S,25S,26R)-4,14,15,24,25,26-hexahydroxy-2,21,27-trioxatetracyclo[21.3.1.13,7.012,17]octacosa-3,5,7(28),8,12,14,16,18-octaene-10,20-dione
500.40
0.8
6
11
183.21
0
2,5-Dimethylstyrene
132.20
3.4
0
0
0
1
[(1R,3S,3aS,5R,7aS)-1-methoxy-1-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-4,4,7a-trimethyl-3-propanoyl-3a,5,6,7-tetrahydro-3H-2-benzofuran-5-yl] acetate
452.50
3.1
0
8
97.36
9
(E)-5-[(1S,4aR,5S,8aR)-5-(dimethoxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-ol
350.50
5
1
3
38.69
7
(6aR,6aS,6bR,10S,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,4a,6,6a,7,8,8a,10,11,12-dodecahydropicen-5-one
424.70
6.5
1
2
37.3
0
N-[(1S,2S,13S,15R)-2-hydroxy-15-methyl-6-oxido-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-11-yl]acetamide
320.40
0.3
2
3
72.39
1
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