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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
(2E,4E,6Z)-Methyl deca-2,4,6-trienoate
180.24
3.2
0
2
26.3
6
(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienamide
183.25
0.8
2
2
63.32
5
2,5-Dimethoxy-4-(2-propenyl)phenol
194.23
2.9
1
3
38.69
4
5-Epi-alpha-selinene
204.35
5.2
0
0
0
1
Amorpha-4,11-diene
204.35
5.1
0
0
0
1
2-methoxy-3-methyl-9H-carbazole
211.26
3.7
1
1
25.02
1
Spirojatamol
222.37
3.7
1
1
20.23
1
Apocynol A
224.30
0.4
2
3
57.53
3
2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
242.22
-0.1
3
6
96.22
5
Subergorgic acid
248.32
2.5
1
3
54.37
1
Pterodonoic acid
248.32
2.5
1
3
54.37
2
(1R,2R,10S,12R,13R,15R)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
263.37
1.9
1
3
40.54
0
2-(3-Hydroxyphenyl)furo[2,3-h]chromen-4-one
278.26
3.2
1
4
63.58
1
Primetin
254.24
2.1
2
4
70.67
1
(2R,4aR,8R,8aR)-4,4,8a-trimethyl-7-methylidene-8-[(2Z)-3-methylpenta-2,4-dienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol
288.50
5.7
1
1
20.23
3
[(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] acetate
292.28
1
2
6
93.06
5
Thebainone
299.40
2
1
4
49.77
1
2,5-Dihydroxy-3,6-diphenyl-p-benzoquinone
292.30
3
2
4
74.6
2
(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione
312.30
1.1
2
5
87.74
1
(1R,3S,4R,10S,13S,15R,16R)-3,15,16-trihydroxy-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-8-en-2-one
318.40
0.8
3
4
77.76
0
(1S,2S,5S,9R,11R,12S,13R)-11-hydroxy-13-methyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-6,16-dione
327.40
1.7
2
3
66.4
0
[(1R)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
328.40
5.4
0
3
43.37
7
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(4S,6R)-6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl]methoxy]oxane-3,4,5-triol
330.37
-0.8
5
7
119.61
5
Pongachalcone I
336.40
4.8
1
4
55.76
4
Methyl 3,8-dihydroxy-4-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
342.30
3.4
2
7
110.13
3
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