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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
boeravinone D
342.30
2.6
3
7
109.36
1
[(7R,8R)-7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
381.50
1.3
2
7
96.3
9
5-Hydroxy-3-[5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxopyrano[3,2-g]chromen-3-yl]-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
758.90
11.6
2
8
119.34
9
Trideca-3,5,7,9,11-pentayne-1,2-diol
196.20
1.1
2
2
40.46
5
[(4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-ynyl] acetate
244.33
4.1
0
2
26.3
7
4,7-Dihydroxy-2,3-methylenedioxy-9,10-dihydro-phenanthrene
256.25
2.9
2
4
58.92
0
3,2'-Dihydroxy-5'-methoxy-4,5-methylene-dioxybibenzyl
288.29
3.2
2
5
68.15
4
Ethylsuberenol
288.34
3.1
0
4
48.67
5
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicene-2,3-dione
440.70
9
0
2
34.14
0
Barpisoflavone C
366.40
3.4
2
6
89.13
2
(2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one
404.40
4.9
2
6
93.06
2
Allophanic acid
104.07
-0.1
3
3
92.42
0
Imidazole-4-acetaldehyde
110.11
-0.5
1
2
45.75
2
Deoxycytidine diphosphate
387.18
-4.5
5
10
223.28
6
Tetradecylbenzene
274.50
9.9
0
0
0
13
E-Caffeic acid pentyl ester
250.29
4.1
2
4
66.76
7
Cannabisin A
594.60
5.1
8
8
179.58
9
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecanoate
597.00
15.1
0
2
26.3
18
2-hydroxy-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
401.40
-0.2
3
7
114.32
5
N-Methylserotonin
190.24
0.7
3
2
48.05
3
Hv-NCC-1
678.70
0.6
8
10
234.9
15
(S)-Columbianetin
246.26
1.9
1
4
59.67
1
Orthonitrophenyl-beta-D-fucopyranoside
285.25
-0.7
3
7
122.29
2
1,3,5-Tri-tert-butylbenzene
246.40
6.9
0
0
0
3
Stizolicin
378.40
0.6
2
7
105.59
5
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