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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-Dibenzylbutyrolactone
266.30
4
0
2
26.3
4
Cyclotetradecane-1,2-dione
224.34
4.3
0
2
34.14
0
2-(3-Buten-1-ynyl)-5-[(E)-3-penten-1-ynyl]thiophene
198.29
4.2
0
1
28.24
2
(2s,6r,10r)-6,10,14-Trimethylpentadecan-2-ol
270.50
7.4
1
1
20.23
12
parvisoflavones-B
352.30
3.6
3
6
100.13
1
Peonidine-3-O-rutinoside chloride
645.00
9
15
239.52
7
3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
464.40
0.4
8
12
210.51
4
(4aR,5aS,8aR,13aS,15aS,15bR)-10-hydroxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
350.40
0.9
1
4
53.01
0
Trypethelone
272.29
2.5
1
4
63.6
0
(z)-1,8-Pentadecadiene
208.38
7.4
0
0
0
11
artonin A
502.60
6
3
7
109.36
2
Heterophyllin
504.60
7.1
4
7
120.36
5
CID 14557360
344.40
1.7
1
6
66.38
3
2-Propenoic acid, 3-(1H-indol-3-yl)-
187.19
2.2
2
2
53.09
2
4-Ethyl-12,16-dimethoxy-10-(methoxymethyl)-6-oxa-4-azaheptacyclo[15.2.1.02,7.02,11.03,13.05,10.014,19]icosane-13,14,18-triol
451.60
-0.6
3
8
100.85
5
10-methoxy-2-methyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one
280.32
2.1
1
2
47.02
1
(7'R,8'R)-4,7'-Epoxy-3',5-dimethoxy-4',9,9'-lignanetriol 9'-glucoside
522.50
0.5
6
11
167.53
10
Cryptoxanthin diepoxide
584.90
10.7
1
3
45.29
10
25-Hydroxydotriacontan-3-one
480.80
13.4
1
2
37.3
29
Suprofen glucuronide
261.27
-1.9
4
7
123.17
4
Epdermin
261.27
-1.9
4
7
123.17
4
(E)-3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
259.26
-1.6
4
7
123.17
4
1-(2-Furanyl)-3-pentanone
152.19
1.4
0
2
30.21
4
14,16-Dihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
278.34
5
2
4
66.76
0
de-O-methyllasiodiplodin
278.34
5
2
4
66.76
0
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