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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
6alpha-Hydroxycastasterone
466.70
5
5
5
101.15
5
Vitetrifolin B
362.50
5
1
4
59.67
5
Vitetrifolin C
360.50
4.5
1
4
59.67
5
(4aS,6aS,8R,10aS,10bR)-8-ethenyl-4,4,6a,8,10b-pentamethyl-4a,5,6,9,10,10a-hexahydro-1H-pyrano[4,3-f]chromen-2-one
306.40
3.6
0
3
35.53
1
1,2,10-Trimethoxy-7-oxoaporphine
339.40
3.1
0
5
48
3
1,13-Dihydroxy-herbertene
234.33
3.7
2
2
40.46
2
5-(methoxymethyl)-3-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol
264.36
4
2
3
49.69
3
(4R)-4-hydroxy-4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexa-2,5-dien-1-one
234.33
3.4
1
2
37.3
1
5-Henicosylbenzene-1,3-diol
404.70
12.3
2
2
40.46
20
5-Tricosyl-1,3-benzenediol
432.70
13.4
2
2
40.46
22
(E,6R)-6-[(3R,5R,10S,13S,17S)-3-hydroxy-4,4,10,13,17-pentamethyl-2,3,5,6,7,11,12,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
454.70
6.9
2
3
57.53
5
5-Pentacosylbenzene-1,3-diol
460.80
14.5
2
2
40.46
24
4-Hydroxy-4-methylcyclohex-2-en-1-one
126.15
0
1
2
37.3
0
4-[(7R)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol
324.40
3.9
2
4
58.92
1
eryvarin D
336.40
5.1
1
4
51.83
3
9-methoxy-2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromen-3-ol
404.50
7
1
4
51.83
5
(E)-3-[(9R,10R)-6,9-dihydroxy-10-(hydroxymethyl)-4,7-dimethoxy-9,10-dihydrophenanthren-2-yl]prop-2-enal
356.40
1.9
3
6
96.22
5
Laudanosine
357.40
3.7
0
5
40.16
6
CID 15548655
352.50
2.6
2
5
75.99
0
(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde
236.35
2.6
1
2
37.3
2
2-[(1S,2R,4R,4aR,6R,8R,8aS)-4-acetyloxy-8-benzoyloxy-1-(carboxymethyl)-6-ethenyl-4a-hydroxy-1,6-dimethyl-5-oxo-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]-2-methylpropanoic acid
544.60
3.3
3
10
164.5
10
secoorthosiphol B
558.60
3.6
2
10
153.5
11
2-[(1S,2R,4R,4aR,6R,8R,8aS)-4-acetyloxy-8-benzoyloxy-1-(cyanomethyl)-6-ethenyl-4a-hydroxy-1,6-dimethyl-5-oxo-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]-2-methylpropanoic acid
525.60
3.5
2
9
150.99
9
(2S,3S,5R)-2-(((3S,5S,6S)-3,4,5-Trihydroxy-6-(oct-1-en-3-yloxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran-2,3,4,5-tetraol
438.50
-1.9
7
11
178.53
10
(1R,2S,10S,11S,13S,15R)-17-oxa-6-azapentacyclo[13.2.1.01,6.02,10.02,13]octadecan-11-ol
263.37
1.7
1
3
32.7
0
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