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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-5,9,11,16-tetraacetyloxy-2-benzoyloxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate
|
776.80
|
3.6
|
1
|
14
|
187.26
|
15
|
|
|
methyl (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
662.90
|
8.2
|
2
|
7
|
102.29
|
8
|
|
|
5''-methoxyhydnocarpin-D
|
494.40
|
3.2
|
4
|
10
|
148.05
|
5
|
|
|
(6aR,11aR)-9-hydroxy-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-2-carbaldehyde
|
298.29
|
2.1
|
1
|
5
|
64.99
|
2
|
|
|
Erysubin F
|
390.50
|
6.3
|
2
|
4
|
70.67
|
5
|
|
|
8-Carboxymethyl-1,3,5,6-tetrahydroxyxanthone
|
332.26
|
2.3
|
3
|
8
|
126.43
|
3
|
|
|
(1S,4R,5S,7aR)-2,4,5,6,7,7a-Hexahydro-1,5-dimethyl-4-(2-methyl-1-propen-1-yl)-1H-indene
|
204.35
|
4.9
|
0
|
0
|
0
|
1
|
|
|
(3S,3aR,6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,6-hexahydro-1H-indene
|
204.35
|
4.7
|
0
|
0
|
0
|
1
|
|
|
Pacifigorgia-1(6),10-diene
|
204.35
|
4.4
|
0
|
0
|
0
|
1
|
|
|
(3S,3aR,7aR)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,3,3a,4,5,7a-hexahydro-1H-indene
|
204.35
|
4.7
|
0
|
0
|
0
|
1
|
|
|
(3S,3aS,6S,7Z,7aR)-3,6-dimethyl-7-(2-methylprop-2-enylidene)-1,2,3,3a,4,5,6,7a-octahydroindene
|
204.35
|
5.4
|
0
|
0
|
0
|
1
|
|
|
2-Methyl-6-phenyl-4H-pyran-4-one
|
186.21
|
2.1
|
0
|
2
|
30.21
|
1
|
|
|
5,7-Dihydroxy-3-[4-[(4-methylphenyl)methyl]phenyl]chromen-4-one
|
358.40
|
5.3
|
2
|
4
|
70.67
|
3
|
|
|
(3R)-3-methylpentacosane
|
366.70
|
14
|
0
|
0
|
0
|
22
|
|
|
Heneicosanal
|
310.60
|
9.8
|
0
|
1
|
17.07
|
19
|
|
|
2-Phenyl-2-propanol
|
136.19
|
1.8
|
1
|
1
|
20.23
|
1
|
|
|
ethyl 9Z-tetradecenoate
|
254.41
|
5.8
|
0
|
2
|
26.3
|
13
|
|
|
1-Acetylpiperidine
|
127.18
|
0.6
|
0
|
1
|
20.31
|
0
|
|
|
3-Isopropylphenol
|
136.19
|
2.7
|
1
|
1
|
20.23
|
1
|
|
|
Prulaurasin
|
295.29
|
-0.7
|
4
|
7
|
123.17
|
4
|
|
|
Pseudoconhydrine
|
143.23
|
1
|
2
|
2
|
32.26
|
2
|
|
|
Epiyohimbol
|
296.40
|
2.9
|
2
|
2
|
39.26
|
0
|
|
|
Hedychenone
|
298.40
|
4.9
|
0
|
2
|
30.21
|
2
|
|
|
(1S,3S,10R,11R,14S,15R)-10-ethyl-1-hydroxy-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadec-9(16)-en-13-one
|
389.50
|
2.2
|
1
|
6
|
76.07
|
2
|
|
|
(1R,2R,3R,6R,7R,8S,10S)-2-ethyl-8-hydroxy-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatetracyclo[9.4.1.01,8.03,7]hexadecane-5,16-dione
|
405.50
|
1.8
|
1
|
6
|
93.14
|
2
|
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