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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
(6S)-6-[(1S,2R,4S,5R,6S)-4,5-Dihydroxy-5-methyl-7-oxabicyclo[4.1.0]hept-2-yl]-2-methyl-2-hepten-4-one
268.35
1.2
2
4
70.06
4
(3S,4S,4aS)-4-[(2S)-oxiran-2-yl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
374.34
-1.9
4
10
147.44
4
(3S,4R,4aR)-4a-hydroxy-4-[(2S)-oxiran-2-yl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one
390.34
-3
5
11
167.67
4
(3S,4R,4aR)-4-[(1S)-2-chloro-1-hydroxyethyl]-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one
426.80
-2.1
6
11
175.37
5
(3S,4R,4aR)-4-[(1S)-1,2-dihydroxyethyl]-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one
408.35
-3.4
7
12
195.6
5
[(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-phenylprop-2-enoate
556.90
11.6
0
2
26.3
8
[(3S,5R,8R,9S,10R,13R,14S,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-phenylprop-2-enoate
574.90
11.2
1
3
46.53
8
(3R,8R,9R,10S,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
426.70
9.2
1
1
20.23
4
Cucurbitadienol
426.70
9.2
1
1
20.23
4
(8E,11E)-heptadeca-8,11-dienal
250.40
6
0
1
17.07
13
8-Heptadecenal
252.40
6.7
0
1
17.07
14
(7E,10E,13E)-hexadeca-7,10,13-trienal
234.38
4.7
0
1
17.07
11
(1R,2S,5R,8R,9R)-1-(hydroxymethyl)-4,4,8-trimethyl-12-oxatricyclo[6.3.1.02,5]dodecan-9-ol
254.36
1.7
2
3
49.69
1
(1R,4R,6S,10S)-4,12,12-Trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one
222.32
2.3
0
2
29.6
0
[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-4-hydroxy-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
458.50
1.2
2
8
119.36
9
2-(2-Hydroxy-4-methylphenyl)propane-1,2,3-triol
198.22
0.1
4
4
80.92
3
3-Methyltriacontane
436.80
16.7
0
0
0
27
[(3S,8R,9S,10R,13R,14S,17S)-3-(dimethylamino)-17-[(1S)-1-(dimethylamino)ethyl]-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methanol
388.60
4.4
1
3
26.71
4
6-Hydroxy-7-(1-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
330.40
2.6
2
4
74.6
2
6,8a-Dimethyl-5-methylidene-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
232.32
2.4
0
2
34.14
2
(5,6-Diformyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) acetate
292.40
2.3
0
4
60.44
4
[(2S,4aS,5R,8aR)-5,6-diformyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate
292.40
2.3
0
4
60.44
4
(1S,5R)-5-[(1R,2S)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-formylcyclopropyl]cyclopent-2-ene-1,2-dicarbaldehyde
314.40
3
0
3
51.21
8
(1S,6S,7R,10S,11R,14R,15R,18R,19S)-2,2,7,10,15,18-hexamethyl-14-propan-2-yl-22,23,24-trioxahexacyclo[19.2.1.01,6.07,19.010,18.011,15]tetracosane
458.70
9.8
0
3
27.69
1
6-Methoxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13)-tetraene-10,11-dione
272.29
2.3
0
4
52.6
1
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