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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
2-(3,7,11-Trimethyldodeca-2,6,10-trien-1-yl)benzene-1,4-diol
314.50
6.9
2
2
40.46
8
(2S,9S,10S)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
315.32
0.7
1
6
68.23
0
11-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione
321.30
3.3
0
5
65.07
1
1, 2-Dioleoyl-sn-glycero-3-phosphocholine
786.10
13.8
0
8
121
42
Crotafuran B
322.30
3.1
1
5
68.9
1
5-O-ethyl embelin
322.40
6.1
1
4
63.6
12
Stepharanine
324.30
3.1
2
4
62.8
2
Ethyl 2-hydroxyhexanoate
160.21
1.7
1
3
46.53
6
(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
325.31
-4.5
8
10
172.1
4
Guatterine
325.40
2.2
1
5
51.16
1
Machilin A
326.40
5.4
0
4
36.92
5
5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
330.29
2.6
3
7
109.36
3
(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-1,15-diol
330.29
1.3
2
7
86.61
1
Bartsioside
330.33
-1.9
5
8
128.84
4
Mearnsetin
332.26
1.5
5
8
140.59
2
(2S)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid
345.40
0.1
1
5
66.84
3
Licoagrodione
356.40
4.8
3
6
104.06
6
3-[3-(Hydroxymethyl)-4,6-dimethoxy-1-benzofuran-2-yl]-2,6-dimethoxyphenol
360.40
2.6
2
7
90.52
6
(1S,2R,4S,5R,10S,11S,13R,14R,15R,18R)-14-hydroxy-5-[(1R)-1-hydroxyethyl]-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione
364.30
-1.3
2
8
118.12
1
[(2R,3R,4R,5S,6S)-3-acetyloxy-2,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
366.40
1.1
2
8
111.52
7
[(2R,3R,4R,5S,6S)-3-acetyloxy-2,5-dihydroxy-6-methyloxan-4-yl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
366.40
1.1
2
8
111.52
7
vitrofolal C
366.40
2.7
2
6
85.22
4
Glicoricone
368.40
4
3
6
100.13
4
(-)-Voacangine
368.50
3.5
1
4
54.56
4
Cyclohexanone, 2-methyl-5-(1-methylethyl)-
154.25
2.7
0
1
17.07
1
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