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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
(1R,2S,5S,6S,7S,8R)-2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one
352.40
2
0
4
42.01
2
[(1S,4S,5S,6R,9R,10R,12R,14R)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate
414.50
2.7
2
5
83.83
3
(1S,4S,9R,10S,12R,13R)-13-hydroxy-5,5,9-trimethyl-16-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-6,14-dione
316.40
2.5
1
3
54.37
0
5-[(2R,3R)-3-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]-7-prop-2-enyl-5-(4-prop-2-enylphenoxy)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol
827.00
13.9
3
8
106.84
19
methyl (1S,2R,7S,8S,9R)-8-[(2S)-2-(furan-3-yl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate
536.60
1.2
4
11
165.12
8
HenridilactoneB
558.60
-0.4
2
11
154.89
0
Isoschisandrolicacid
456.70
8.5
2
3
57.53
5
HenridilactoneD
544.60
0.8
1
10
134.66
0
(2S,3S,4R,5R,6R)-2-[(2R,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-2-[(2R,3R,4R,5R,6R)-6-[(1S,2R,3S,4S,5'R,6S,7R,8S,9R,12S,13S,15S,16S,18R)-3,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1229.30
-3.9
17
29
454.67
14
(5alpha,25s)-Spirostan-3,6-dione
428.60
4.4
0
4
52.6
0
(1R,3aS,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
220.35
2.7
1
1
20.23
1
6-(2-Aminoethyl)-2,3-dihydroxybenzenesulfonic acid
233.24
-2.4
4
6
129.23
3
Lantadene C
554.80
8
1
5
80.67
5
2-Ethyl-5-methyl-3-thiazoline
129.23
1.5
0
2
37.66
1
(6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
221.38
4.5
1
1
26.02
7
Bianfugenine
351.40
3.2
0
6
66.88
4
2-(Hydroxymethyl)piperidine-3,4,5-triol
163.17
-2.3
5
5
92.95
1
Methyl 2,6-dimethoxybenzoate
196.20
1
0
4
44.76
4
(2R)-2-[(1R)-1-[(1S,3R,8S,9S,10R,13S,14S,17S)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
458.60
4
3
5
86.99
2
(1R,4R,5S)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene
204.35
5.1
0
0
0
1
(-)-Paulownin
370.40
1.6
1
7
75.61
2
beta-Sitosterol palmitate
653.10
17.2
0
2
26.3
22
Campesteryl palmitate
639.10
16.7
0
2
26.3
21
(4-Isopropyl-2-cyclohexen-1-yl)methanol, cis-
154.25
2.5
1
1
20.23
2
Octopinic acid
204.22
-5.4
4
6
112.65
7
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