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Physicochemical properties (MW, LogP) of all entries.
| 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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