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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(8S,9R,10S)-10-acetyloxy-9-hydroxyheptadec-1-en-11,13-diyn-8-yl] acetate
|
362.50
|
4.4
|
1
|
5
|
72.83
|
14
|
|
|
4-Acetyl-3-methylpyridine
|
135.16
|
0.9
|
0
|
2
|
29.96
|
1
|
|
|
Methyl 2-[4,5,8-trihydroxy-9,10-dioxo-3-(3-oxopentyl)anthracen-2-yl]acetate
|
412.40
|
3.1
|
3
|
8
|
138.2
|
7
|
|
|
(1S,4R)-7,8-Dihydroxycalamenene
|
234.33
|
4.4
|
2
|
2
|
40.46
|
1
|
|
|
methyl 2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl]prop-2-enoate
|
260.33
|
3
|
0
|
3
|
43.37
|
3
|
|
|
(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid
|
318.40
|
4.2
|
2
|
3
|
57.53
|
2
|
|
|
(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
|
334.28
|
1.5
|
5
|
8
|
136.68
|
2
|
|
|
Mucrolidin
|
256.38
|
2
|
3
|
3
|
60.69
|
1
|
|
|
Aristolactam AII
|
265.26
|
3
|
2
|
3
|
58.56
|
1
|
|
|
3,16,20-Trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraene-17-carbaldehyde
|
338.40
|
2.2
|
0
|
3
|
34.47
|
1
|
|
|
(20alpha)-21beta-Methyl-18-nor-19-oxo-20,21-dihydroalstphyllan
|
338.40
|
2.2
|
0
|
3
|
34.47
|
1
|
|
|
1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-4-methylcyclohexa-1,4-diene
|
202.33
|
3.9
|
0
|
0
|
0
|
1
|
|
|
6beta-Hydroxyeremophilenolide
|
250.33
|
2.6
|
1
|
3
|
46.53
|
0
|
|
|
CID 14866182
|
524.60
|
-0.8
|
3
|
11
|
165.89
|
6
|
|
|
[(1R,2R,3R,5S,6R,9R,10R,11R,13S,14S,16R,19S)-19-acetyloxy-2,5,10,11-tetrahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.03,9.06,10.016,19]nonadecan-14-yl] acetate
|
498.50
|
-1.8
|
4
|
11
|
169.05
|
4
|
|
|
[(1R,2R,3R,5S,6R,9R,10R,11R,13S,14S,16R,19S)-2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.03,9.06,10.016,19]nonadecan-14-yl] acetate
|
456.50
|
-2.4
|
5
|
10
|
162.98
|
2
|
|
|
(1R,3aS,5aR,5bR,7aR,8S,9R,11aS,11bR,12R,13aR,13bR)-9,12-dihydroxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid
|
502.70
|
6.1
|
4
|
6
|
115.06
|
3
|
|
|
2-Hydroxy-3-(4-methoxyphenyl)propanoic acid
|
196.20
|
1.1
|
2
|
4
|
66.76
|
4
|
|
|
2,3-Dihydroxypropyl dodecanoate
|
274.40
|
4.2
|
2
|
4
|
66.76
|
14
|
|
|
(S)-6-(2-(beta-D-Glucopyranosyloxy)ethyl)-2,3-dihydro-5-(hydroxymethyl)-2,7-dimethyl-1H-inden-1-one
|
396.40
|
-0.3
|
5
|
8
|
136.68
|
6
|
|
|
5,6,7-Trimethoxycoumarin
|
236.22
|
1.8
|
0
|
5
|
57.9
|
3
|
|
|
Aristolactam II
|
263.25
|
3.1
|
1
|
3
|
47.56
|
0
|
|
|
7,8-dihydroimidazo[1,5-c]pyrimidin-5(6H)-one
|
137.14
|
-0.2
|
1
|
2
|
46.92
|
0
|
|
|
O-Methylptelefolonium
|
316.40
|
3.9
|
0
|
4
|
40.8
|
4
|
|
|
1,2-Dihydrophenanthrene
|
180.24
|
4.3
|
0
|
0
|
0
|
0
|
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