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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
CID 10820744
152.12
1.1
0
3
35.53
1
L-Apiitol
152.15
-3.2
5
5
101.15
4
4,4-Dideuterionon-8-enoic acid
158.23
2.8
1
2
37.3
7
2-Cyclohexen-1-one, 6-hydroxy-3-methyl-6-(1-methylethenyl)-, (6S)-
166.22
1.5
1
2
37.3
1
Phenylacetylene
102.13
2.5
0
0
0
1
3-[(1R,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]propanal
178.27
2.5
0
1
17.07
3
2-Deuteriotridec-1-ene
183.35
7.3
0
0
0
10
5-Acetylamino-6-formylamino-3-methyluracil
226.19
-2
3
4
113.06
2
(3R,3aR,6R,7aR)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2,5-dione
198.22
0.2
1
4
63.6
0
(4S,5S)-4-hydroxy-4-(2-hydroxyethyl)-3,3,5-trimethylcyclohexan-1-one
200.27
1.1
2
3
57.53
2
5-Hydroxy-2,3-dimethyl-1,4-naphthoquinone
202.21
2.7
1
3
54.37
0
2-deoxy-D-glucose
164.16
-2.9
4
5
97.99
5
(1R,2S,7S,8S)-2,6,6,9-tetramethyl-12-oxatricyclo[6.3.1.01,7]dodec-9-ene
220.35
3.8
0
1
9.23
0
3-Ethylpyridine
107.15
1.7
0
1
12.89
1
Clauszoline M
227.21
2.7
3
3
73.32
1
Epiacoronene
234.33
2.6
0
2
34.14
1
radulifolin C
242.27
3.5
1
3
50.44
0
Argentone
246.34
3.6
0
2
26.3
2
1-(1-Ethoxyethoxy)hexane
174.28
3.2
0
2
18.46
8
5-Acetonyl-7-hydroxy-2-hydroxymethylchromone
248.23
-0.1
2
5
87.74
3
10-Hydroxy-2-hydroxymethyl-1,4-anthraquinone
254.24
2.6
2
4
74.6
1
(5E,7E,9E)-17-hydroxyheptadeca-5,7,9-trien-11,13-diyn-4-one
256.34
3.2
1
2
37.3
8
8-[(2R,3R)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-ol
260.40
4.5
1
2
32.76
9
4-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]butan-2-one
262.40
4.7
0
1
17.07
3
(3R,5R,6R)-5-ethenyl-3-hydroxy-2,2,9-trimethyl-1-oxaspiro[5.5]undec-9-ene-8,11-dione
264.32
0.9
1
4
63.6
1
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