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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
429.70
|
6.2
|
1
|
3
|
40.54
|
2
|
|
|
(5R,6S,8R,8aR)-5-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,6,7,8,8a-hexahydroazulen-2-one
|
430.50
|
-1.6
|
6
|
9
|
156.91
|
4
|
|
|
2,3,5,6-Tetramethylphenol
|
150.22
|
3
|
1
|
1
|
20.23
|
0
|
|
|
Regeol A
|
440.60
|
6.6
|
3
|
4
|
77.76
|
0
|
|
|
1,2,3,5-Tetramethylbenzene
|
134.22
|
4
|
0
|
0
|
0
|
0
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-3-yl] 4-hydroxybenzoate
|
462.40
|
1.2
|
5
|
10
|
162.98
|
9
|
|
|
[(E)-2-[(1S,2S,7S)-2-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-5-(methoxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
|
462.60
|
3
|
1
|
7
|
99.13
|
12
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
468.50
|
0.9
|
6
|
10
|
166.14
|
7
|
|
|
Methyl oleanonate
|
468.70
|
7.5
|
0
|
3
|
43.37
|
2
|
|
|
[(1S,5R)-5-[(E)-6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-4,6,6-trimethylcyclohex-3-en-1-yl] acetate
|
468.80
|
9.1
|
0
|
2
|
26.3
|
8
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R,3S,4R)-1,3,4-trihydroxy-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
472.70
|
6
|
3
|
4
|
77.76
|
5
|
|
|
(4S,12R,14S,16S)-4-(4-hydroxyphenyl)-14-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,7,9-trien-6-one
|
474.50
|
4.5
|
2
|
7
|
94.45
|
5
|
|
|
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,4R,5R)-5-hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
474.70
|
7.7
|
3
|
4
|
69.92
|
6
|
|
|
Cefotaxime Sodium
|
477.50
|
|
2
|
12
|
229.88
|
8
|
|
|
3,4,5-Trimethylphenol
|
136.19
|
3
|
1
|
1
|
20.23
|
0
|
|
|
2,3-Dehydrosilybin A
|
480.40
|
3.1
|
5
|
10
|
159.05
|
4
|
|
|
[(1R,2R,3R,5S,8R,9R,10R)-2,9,10-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
|
480.60
|
2.8
|
3
|
6
|
104.06
|
4
|
|
|
(2S,4S,7R,8S,9S,12R,13R,16R,19S,20R)-2,9,13,19-tetramethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-5,17-dioxahexacyclo[10.10.0.0^{2,9}.0^{4,8}.0^{13,20}.0^{16,19}]docos-1(22)-ene-6,18-dione
|
480.60
|
5.5
|
0
|
5
|
69.67
|
3
|
|
|
(2Z)-2-[(1S,3S,5R,6S,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-3-[(1E,3E,5E,7E)-2,6,10-trimethylundeca-1,3,5,7,9-pentaenyl]-2-oxaspiro[4.5]decan-9-ylidene]propanal
|
484.70
|
5.2
|
3
|
5
|
86.99
|
9
|
|
|
Alboctalol
|
488.50
|
4.3
|
8
|
8
|
161.84
|
3
|
|
|
6'-O-beta-D-Apiofuranosylsweroside
|
490.50
|
-2.7
|
6
|
13
|
193.83
|
7
|
|
|
cypellocarpin A
|
498.50
|
0
|
7
|
12
|
203.44
|
8
|
|
|
(1S,4R,6S)-1,6-dimethyl-4-[(1S)-1-[(5R,6S,7R,8S,9S,10R,12S,13R,14S,17R)-5,6,7,12-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-3,7-dioxabicyclo[4.1.0]heptan-2-one
|
504.60
|
1.7
|
4
|
8
|
136.82
|
2
|
|
|
1-Decanol, 1-(decyloxy)-
|
314.50
|
8.6
|
1
|
2
|
29.46
|
18
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
512.50
|
-0.5
|
8
|
13
|
215.83
|
10
|
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