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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
beta-Elemenone
218.33
4.4
0
1
17.07
2
(1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
222.37
4
0
1
9.23
0
Patchouli alcohol
222.37
4.1
1
1
20.23
0
1-(1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-9-yl)propan-2-one
228.29
0.7
0
2
32.67
2
Yhaqqfnsezllpm-uhfffaoysa-
232.28
1.3
1
3
41.57
0
Turmeronol B
232.32
3.9
1
2
37.3
4
[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]methanol
238.37
2.7
1
2
29.46
1
(3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one
250.25
0.9
1
5
64.99
2
4-Methylpentanenitrile
97.16
1.5
0
1
23.79
2
(1R,2S,10R,13S,15R)-2,10-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
279.37
0.6
2
4
60.77
0
Isobutyl formate
102.13
1.5
0
2
26.3
3
Sedacryptine
291.40
1.8
2
4
52.93
3
Noratherosperminine
295.40
4.2
1
3
30.49
5
(3Z,5Z,6aR,7R,9R,10aS)-6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8H-1-benzoxocine-7-carboxylic acid
296.31
0.7
3
6
104.06
1
Ovalicin
296.36
0.6
1
5
71.59
4
(6E)-7-(2H-1,3-Benzodioxol-5-YL)-1-(pyrrolidin-1-YL)hept-6-EN-1-one
301.40
3.5
0
3
38.77
6
Methyl 4-hydroxy-3-(4-methoxycarbonylphenoxy)benzoate
302.28
3.2
1
6
82.06
6
Pongaglabrone
306.30
3.4
0
5
61.81
1
[2-[4-(Acetyloxymethyl)-2-hydroxyphenyl]-2-hydroxypropyl] 2-methylpropanoate
310.34
2.1
2
6
93.06
8
(11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid
310.40
3.9
2
4
70.06
13
(1'S,3R,4'R,7'R,8'S)-2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one
310.40
3
2
2
41.13
0
Phyllanthurinolactone
314.29
-1.7
4
8
125.68
3
(2S,3S)-2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one
320.30
2.8
2
4
66.76
2
(2R,3R,4S,5S,6R)-2-[2-(1,4-dihydroxycyclohexyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
322.35
-1.9
6
8
139.84
5
4-(3-(4-Hydroxy-2-methoxyphenyl)propyl)-2-(3-methylbut-2-en-1-yl)phenol
326.40
5.9
2
3
49.69
7
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