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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
D(+)-Glucose
|
180.16
|
-2.9
|
5
|
6
|
118.22
|
5
|
|
|
2-(1H-indol-2-ylmethyl)-1H-indole
|
246.31
|
4.2
|
2
|
0
|
31.58
|
2
|
|
|
4-(trans)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
|
250.25
|
1
|
3
|
5
|
94.83
|
1
|
|
|
Methyl 2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate
|
446.70
|
9.8
|
0
|
2
|
26.3
|
10
|
|
|
Virol B
|
262.40
|
4.3
|
2
|
2
|
40.46
|
10
|
|
|
(1S,2S,4R,7E,11S)-8-(hydroxymethyl)-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
|
264.32
|
1.1
|
1
|
4
|
59.06
|
1
|
|
|
(1R,10R,12R,14R)-7-methoxy-14-methyl-13-oxatetracyclo[8.5.0.01,12.03,8]pentadeca-3(8),4,6-triene-2,9-dione
|
272.29
|
1.6
|
0
|
4
|
52.6
|
1
|
|
|
3,2'-Dihydroxy-4,5-dimethoxybibenzyl
|
274.31
|
3.4
|
2
|
4
|
58.92
|
5
|
|
|
Methylrubilactone
|
284.26
|
3
|
0
|
5
|
65.74
|
3
|
|
|
(S)-5-((S)-1-Hydroxytridecyl)dihydrofuran-2(3H)-one
|
284.40
|
5.8
|
1
|
3
|
46.53
|
12
|
|
|
3-(3,4-Dimethoxyphenyl)-2-propenal
|
192.21
|
1.4
|
0
|
3
|
35.53
|
4
|
|
|
(Z)-2,7,13,13,14,15,15-heptadeuteriooctadec-9-enoic acid
|
289.50
|
6.5
|
1
|
2
|
37.3
|
15
|
|
|
l-Piperitone
|
152.23
|
2.2
|
0
|
1
|
17.07
|
1
|
|
|
10-hydroxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
|
293.30
|
3.4
|
2
|
3
|
62.32
|
1
|
|
|
Phencomycin methyl ester
|
296.28
|
2.3
|
0
|
6
|
78.38
|
4
|
|
|
(Z)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-3-enoic acid
|
304.50
|
5.9
|
1
|
2
|
37.3
|
4
|
|
|
[(1R,2R,5S,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl] acetate
|
306.40
|
1.6
|
0
|
4
|
49.85
|
2
|
|
|
7-Phenyldodeca-2,4,8,10-tetrayn-6-ylbenzene
|
306.40
|
6.1
|
0
|
0
|
0
|
5
|
|
|
2-Hydroxy-1,7,8-trimethoxypyrene
|
308.30
|
4.6
|
1
|
4
|
47.92
|
3
|
|
|
(6aR,12aR)-9,12a-dihydroxy-3-methoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
|
314.29
|
1.7
|
2
|
6
|
85.22
|
1
|
|
|
(2E,6R)-2,6-dimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyocta-2,7-dienoic acid
|
316.35
|
-0.1
|
4
|
7
|
116.45
|
7
|
|
|
Mandelonitrile
|
133.15
|
1
|
1
|
2
|
44.02
|
1
|
|
|
Strychnilactone
|
324.40
|
0.8
|
2
|
6
|
93.06
|
4
|
|
|
[(1R,2R,5R,6R)-2,5,6-trihydroxy-2-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-5-methylcyclohexyl] acetate
|
330.40
|
0.7
|
4
|
6
|
107.22
|
6
|
|
|
(3R,4aS,6aS,10aR,10bS)-3-[(1R)-1,2-dihydroxyethyl]-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
|
338.50
|
2.2
|
2
|
4
|
66.76
|
2
|
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