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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
gamma-Caprolactone
|
114.14
|
0.7
|
0
|
2
|
26.3
|
1
|
|
|
Cycloartanol
|
428.70
|
10.2
|
1
|
1
|
20.23
|
5
|
|
|
(1S,3R,6S,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
428.70
|
10.2
|
1
|
1
|
20.23
|
5
|
|
|
(1S,3R,6S,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2S)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
440.70
|
10.3
|
1
|
1
|
20.23
|
5
|
|
|
(1S,3R,6S,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
440.70
|
10.3
|
1
|
1
|
20.23
|
5
|
|
|
Hainanensine
|
299.32
|
1.6
|
1
|
5
|
59
|
0
|
|
|
Isopropylcyclohexane
|
126.24
|
4.3
|
0
|
0
|
0
|
1
|
|
|
Cyclooctanol
|
128.21
|
1.6
|
1
|
1
|
20.23
|
0
|
|
|
Galphimine B
|
516.70
|
3.9
|
3
|
7
|
113.29
|
3
|
|
|
2,10a-Dihydro-8,10a-dihydroxy-3,11-dimethyl-1H-cyclopent(b)anthracene-5,10-dione
|
308.30
|
1.1
|
2
|
4
|
74.6
|
0
|
|
|
Bungeiside C
|
430.40
|
-2.6
|
6
|
11
|
175.37
|
6
|
|
|
2,3,5-Trimethylphenol
|
136.19
|
2.7
|
1
|
1
|
20.23
|
0
|
|
|
Tetracenomycin F1
|
366.30
|
4.2
|
5
|
7
|
135.29
|
1
|
|
|
8-[(3,3-Dimethyloxiran-2-yl)methyl]-7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
|
344.40
|
3.9
|
0
|
5
|
61.2
|
6
|
|
|
8-(2,3-Dihydroxy-3-methylbutyl)-7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
|
362.40
|
2.9
|
2
|
6
|
89.13
|
7
|
|
|
8-[(1S,5R,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
|
692.70
|
7.3
|
8
|
11
|
209.12
|
7
|
|
|
alpha-D-Xylofuranoside, methyl 2,3-di-O-methyl-
|
192.21
|
-0.9
|
1
|
5
|
57.15
|
4
|
|
|
delta-Octalactone
|
142.20
|
1.9
|
0
|
2
|
26.3
|
2
|
|
|
2-(1,3-Benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one
|
336.30
|
3.4
|
0
|
6
|
71.04
|
2
|
|
|
Pongaglabol
|
278.26
|
3.8
|
1
|
4
|
63.58
|
1
|
|
|
Benzyl methyl disulfide
|
170.30
|
2.4
|
0
|
2
|
50.6
|
3
|
|
|
Irisoquin
|
406.60
|
9.5
|
1
|
4
|
63.6
|
18
|
|
|
(1R)-1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
|
204.27
|
0.7
|
0
|
2
|
25.24
|
0
|
|
|
Pentamethylbenzene
|
148.24
|
4.6
|
0
|
0
|
0
|
0
|
|
|
Liriodendronine
|
263.25
|
1.3
|
2
|
4
|
70.16
|
0
|
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