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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
Aculeoside B
1205.30
-1
11
27
393.73
17
10-Methylsulfonyldecanamide
249.37
1.7
1
3
85.61
10
2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
219.24
0.7
3
5
86.72
4
4-Butylphenol
150.22
3.4
1
1
20.23
3
1,1-Dimethylcyclopentane
98.19
3.4
0
0
0
0
Octadecadienoic acid, (Z,Z)-
280.40
7.6
1
2
37.3
14
10-Deacetylbaccatin III
544.60
0.6
4
10
159.82
5
[(1S,3R,5S,7R,8R,9R,10R,13S,17S)-1,7-diacetyloxy-17-[(5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
694.90
6.7
2
9
128.59
8
(2S,3R,5S,8R,9S,10S,13S,14S,17Z)-17-ethylidene-2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one
332.50
3.8
2
3
57.53
0
cyclo[Gly-Pro-Val-Pro-Gly-Ser-Phe]
641.70
0.1
6
8
206.35
4
cyclo[Gly-Gly-Val-Leu-Ser-Tyr-Tyr-Pro]
836.90
1.7
10
11
284.7
8
cyclo[Gly-Gly-Val-Leu-Ser-Tyr-Tyr-Tyr-Pro]
1000.10
2.7
12
13
334.03
10
cyclo[Ala-Leu-Thr-Thr-Tyr-Gly-Ala-Pro]
774.90
0.3
10
11
284.7
6
cyclo[Ala-Ile-Val-Gly-Tyr-Pro-Met-Thr]
833.00
2
9
11
289.77
9
cyclo[Ala-Ile-Val-Gly-Tyr-Pro-Met(O)-Thr]
849.00
0.4
9
12
300.75
9
Olean-13(18)-en-11-one
424.70
9
0
1
17.07
0
(4aR,6aS,6aR,6bR,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydropicen-3-one
426.70
9.6
0
1
17.07
0
Alpinetin
270.28
2.5
1
4
55.76
2
(1S,2S,6S,11S,14S,15R,18R,20S)-20-ethoxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
498.70
7.4
1
4
55.76
3
Harmanine
198.22
2.4
1
2
38.05
0
5,6,4'-Trihydroxy-8,3'-dimethoxyflavone
330.29
2.6
3
7
109.36
3
Ethylcyclopentane
98.19
3.5
0
0
0
1
(1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene
204.35
4.1
0
0
0
0
(1R,4R,6S,8aR)-4,8a-dimethyl-6-propan-2-yl-1,2,3,6,7,8-hexahydronaphthalene-1,4-diol
238.37
2.5
2
2
40.46
1
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-2-one
294.40
3.2
2
4
66.76
10
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