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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Methyl (1R,2S,7aS)-hexahydro-2-hydroxy-2-methyl-1H-pyrrolizine-1-carboxylate
|
199.25
|
0.6
|
1
|
4
|
49.77
|
2
|
|
|
3-Butylisocoumarin
|
202.25
|
3.6
|
0
|
2
|
30.21
|
3
|
|
|
(1R,4R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
|
204.35
|
5
|
0
|
0
|
0
|
1
|
|
|
(-)-Alloaromadendrene
|
204.35
|
4.7
|
0
|
0
|
0
|
0
|
|
|
5,11-Selinadiene
|
204.35
|
4.9
|
0
|
0
|
0
|
1
|
|
|
9(10H)-Acridinone, 1-hydroxy-
|
211.22
|
3.6
|
2
|
3
|
53.09
|
0
|
|
|
Selenite ion
|
126.97
|
|
0
|
3
|
63.19
|
0
|
|
|
(2E,6E)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-one
|
220.35
|
3.5
|
0
|
1
|
17.07
|
1
|
|
|
(1R,2S,4S,7R,10R)-2,7,11,11-tetramethyl-3,12-dioxatetracyclo[8.2.1.01,7.02,4]tridecane
|
236.35
|
2.5
|
0
|
2
|
21.76
|
0
|
|
|
4-[3-(4-Hydroxyphenyl)propyl]resorcinol
|
244.28
|
2.9
|
3
|
3
|
60.69
|
4
|
|
|
2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl]prop-2-enoic acid
|
246.30
|
2.7
|
1
|
3
|
54.37
|
2
|
|
|
(3aS,5aR,8R,8aR,9aR)-8-hydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
|
248.32
|
1.8
|
1
|
3
|
46.53
|
0
|
|
|
(1S,10S,12S,13R,15R)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one
|
261.36
|
1.1
|
1
|
3
|
40.54
|
0
|
|
|
2-(1,3-Benzodioxol-5-yl)quinolin-4(1H)-one
|
265.26
|
3
|
1
|
4
|
51.32
|
1
|
|
|
Sterehirsutinal
|
266.29
|
4.8
|
2
|
3
|
57.53
|
5
|
|
|
[2-(1-Hydroxy-2-methoxypropan-2-yl)-5-methylphenyl] 2-methylpropanoate
|
266.33
|
2.3
|
1
|
4
|
55.76
|
6
|
|
|
(-)-Kaurene
|
272.50
|
6.9
|
0
|
0
|
0
|
0
|
|
|
Benzoic acid, 3,5-bis(acetyloxy)-4-methoxy-, methyl ester
|
282.25
|
1.2
|
0
|
7
|
88.13
|
7
|
|
|
Methyl 4-hydroxy-9,10-dioxoanthracene-2-carboxylate
|
282.25
|
3.4
|
1
|
5
|
80.67
|
2
|
|
|
1-O-Methylnataloe-emodin
|
284.26
|
3
|
2
|
5
|
83.83
|
1
|
|
|
3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one
|
291.34
|
0.8
|
2
|
4
|
71.69
|
4
|
|
|
(5S)-2,5-Dihydro-5-methyl-2-oxo-3-furantridecanal
|
294.40
|
5.6
|
0
|
3
|
43.37
|
13
|
|
|
(1S,4S,4aR,8aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-ol
|
306.50
|
4.6
|
2
|
2
|
40.46
|
4
|
|
|
salvianolic acid F
|
314.29
|
2.7
|
5
|
6
|
118.22
|
4
|
|
|
Suregadolide B
|
314.40
|
3.4
|
0
|
3
|
38.83
|
0
|
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