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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
CID 11030039
|
154.21
|
1.1
|
1
|
2
|
37.3
|
0
|
|
|
(1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol
|
159.18
|
-1.7
|
4
|
4
|
72.72
|
0
|
|
|
Carvone oxide
|
166.22
|
1.6
|
0
|
2
|
29.6
|
1
|
|
|
6,7-dihydroxy-3,4-dihydro-2H-isoquinolin-1-one
|
179.17
|
0.5
|
3
|
3
|
69.56
|
0
|
|
|
(-)-dihydroedulan II
|
194.31
|
3.4
|
0
|
1
|
9.23
|
0
|
|
|
(5R,6R)-6-hydroxy-1-oxo-2-oxaspiro[4.5]dec-7-ene-8-carbaldehyde
|
196.20
|
-0.4
|
1
|
4
|
63.6
|
1
|
|
|
(3R,4R,5S)-3-hexyl-4-hydroxy-5-methyloxolan-2-one
|
200.27
|
2.7
|
1
|
3
|
46.53
|
5
|
|
|
(-)-Isocomene
|
204.35
|
5.1
|
0
|
0
|
0
|
0
|
|
|
(1S,4S,4aR)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
|
204.35
|
4.7
|
0
|
0
|
0
|
1
|
|
|
(4R)-4-ethyl-4-hydroxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-3,8-dione
|
212.20
|
-0.2
|
1
|
5
|
72.83
|
1
|
|
|
Ethyl 3-hydroxydecanoate
|
216.32
|
3.2
|
1
|
3
|
46.53
|
10
|
|
|
(Z)-beta-santalol
|
220.35
|
4
|
1
|
1
|
20.23
|
4
|
|
|
(+)-(5R,7S,10S)-cis-Selina-4(15),11-dien-5-ol
|
220.35
|
3.8
|
1
|
1
|
20.23
|
1
|
|
|
Aphanamol I
|
236.35
|
2.2
|
1
|
2
|
37.3
|
2
|
|
|
(3aR,6R)-6-(2-hydroxypropan-2-yl)-3a-methyl-3,4,5,6,7,9-hexahydro-2H-cyclopenta[8]annulen-8-one
|
236.35
|
2.3
|
1
|
2
|
37.3
|
1
|
|
|
(1R,4S,4aR,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
|
238.37
|
2.1
|
2
|
2
|
40.46
|
2
|
|
|
1-(Furan-3-yl)-3,3,6-trimethylcyclopenta[c]pyran-7-one
|
242.27
|
2.1
|
0
|
3
|
39.44
|
1
|
|
|
(1R,3aS,5aR,8R,8aR,9aR)-8-hydroxy-1,8-dimethyl-5-methylidene-3a,4,5a,6,7,8a,9,9a-octahydro-1H-azuleno[6,5-b]furan-2-one
|
250.33
|
1.9
|
1
|
3
|
46.53
|
0
|
|
|
(2R,3R,4S,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,3-diol
|
256.38
|
2.9
|
3
|
3
|
60.69
|
1
|
|
|
Osmaronin
|
259.26
|
-1.6
|
4
|
7
|
123.17
|
4
|
|
|
Colletol
|
268.30
|
2
|
1
|
5
|
72.83
|
0
|
|
|
beta-D-Galactopyranoside, phenylmethyl
|
270.28
|
-0.7
|
4
|
6
|
99.38
|
4
|
|
|
(2r,6r,10r)-6,10,14-Trimethylpentadecan-2-ol
|
270.50
|
7.4
|
1
|
1
|
20.23
|
12
|
|
|
2-(4-Hydroxyphenyl)furo[2,3-h]chromen-4-one
|
278.26
|
3.2
|
1
|
4
|
63.58
|
1
|
|
|
4,4'-[rel-(2R,3R,4R,5R)-3,4-Dimethyltetrahydrofuran-2,5-diyl]diphenol
|
284.30
|
3.8
|
2
|
3
|
49.69
|
2
|
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