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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
alpha-Onocerin diacetate
526.80
8.6
0
4
52.6
7
(+)-16-Gammaceren-3beta-ol
426.70
9.3
1
1
20.23
0
(3R,4aR,6aS,6aR,6bR,12aR,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,10,11,12,13,14,14a-tetradecahydropicen-3-ol
426.70
9.3
1
1
20.23
0
(4aR,6aS,6aR,6bR,12aR,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-2,4a,5,6,6a,7,10,11,12,13,14,14a-dodecahydro-1H-picen-3-one
424.70
9
0
1
17.07
0
CID 14447666
470.80
10.7
0
2
26.3
2
4,8-Dimethoxy-8-(3-methylbut-2-enyl)-5,6-dihydrofuro[2,3-b]quinolin-7-one
315.40
3
0
5
61.56
4
7,8,18,28,29,35,55,56,57,58-Decahydroxy-23,30,54-tris(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione
1217.30
-0.9
13
26
406.5
3
(1S,2S,5R,7R,12R,13S,14S)-5,12-dihydroxy-2,13,14-trimethyl-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-9-one
282.33
0.6
2
5
75.99
0
Atractylenolide II
232.32
2.9
0
2
26.3
0
8-Epiasterolide
232.32
2.9
0
2
26.3
0
3,8a-dimethyl-5-methylidene-4H,4aH,6H,7H,8H-naphtho[2,3-b]furan-2-one
230.30
3
0
2
26.3
0
5-(4-Methyl-2-furyl)-6-methylheptan-2-one
208.30
2.8
0
2
30.21
5
10-Hydroxypentadecanoic acid
258.40
4.7
2
3
57.53
13
2,2-Dimethylpentanoic acid
130.18
2.1
1
2
37.3
3
(2S)-3-methyl-2-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]butanoic acid
309.40
2.3
2
4
83.47
8
CID 14455513
323.40
2.7
2
4
83.47
9
Annonacinone
594.90
7.9
3
7
113.29
26
(3S,5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-6-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
594.90
7.6
2
7
110.13
26
3-Deacetylsalannin
554.70
3.4
1
8
104.43
7
2,2,3,4-Tetramethylpentane
128.25
4.1
0
0
0
2
S99Zay9qdt
338.40
4.1
0
5
53.99
1
3,5-Dihydroxy-2-tridecylbenzoic acid
336.50
7.5
3
4
77.76
13
1,3-Dihydroxy-5-(6''-pentadecenyl)benzene
318.50
8.6
2
2
40.46
13
(3R)-3-hydroxy-L-aspartic acid
149.10
-4.4
4
6
120.85
3
3-Alpha-Acetonyltabersonine
392.50
3.1
1
5
58.64
5
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