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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Artomunoxanthentrione
|
444.40
|
5.2
|
1
|
7
|
103.04
|
2
|
|
|
5-O-Methylhoslundin
|
420.40
|
3.5
|
0
|
7
|
88.11
|
5
|
|
|
Aptosimone
|
368.30
|
2.4
|
0
|
7
|
72.45
|
2
|
|
|
CID 15726439
|
406.40
|
-2.6
|
6
|
11
|
175.37
|
5
|
|
|
methyl (1S)-8-hydroxy-8-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,8a-tetrahydro-1H-pyrano[3,4-c]pyran-4-carboxylate
|
406.40
|
-2
|
5
|
11
|
164.37
|
5
|
|
|
2-Formyl-3,5-dihydroxy-4-methylbenzoic acid
|
196.16
|
1.1
|
3
|
5
|
94.83
|
2
|
|
|
(2R,3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-2,4-dihydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydronaphthalen-1-one
|
334.40
|
3.6
|
2
|
4
|
70.67
|
3
|
|
|
Preleoheterin
|
334.40
|
3.2
|
1
|
4
|
55.76
|
0
|
|
|
CID 15726753
|
366.50
|
3.1
|
1
|
5
|
64.99
|
1
|
|
|
CID 15726754
|
366.50
|
3.1
|
1
|
5
|
64.99
|
1
|
|
|
(4aS,7R)-4a-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-one
|
202.29
|
3.6
|
0
|
1
|
17.07
|
1
|
|
|
(4aR,8aR)-4,4,7,8a-tetramethyl-8-methylidene-2,3,4a,5-tetrahydro-1H-naphthalene
|
204.35
|
4.9
|
0
|
0
|
0
|
0
|
|
|
(6aS)-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
|
385.50
|
3.3
|
0
|
6
|
49.39
|
5
|
|
|
2-(14-methoxy-3,5,16-trioxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,9,11(19),12,14-heptaen-12-yl)-N,N-dimethylethanamine
|
351.40
|
4
|
0
|
5
|
40.16
|
4
|
|
|
(1S,4aS,7aS)-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4,7-dicarboxylic acid
|
388.32
|
-2.1
|
6
|
11
|
183.21
|
5
|
|
|
1H-indole;3H-indole
|
234.29
|
|
1
|
1
|
28.15
|
0
|
|
|
1-Pyrrolidin-1-yldeca-2,4-dien-1-one
|
221.34
|
3.7
|
0
|
1
|
20.31
|
6
|
|
|
methyl 2-[(1S,2R,3S,4R,8S,9S,10R,13R,15S)-13-(furan-3-yl)-2,4-dihydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-dien-9-yl]acetate
|
456.50
|
0.9
|
2
|
7
|
106.2
|
4
|
|
|
1,3-Bis(p-hydroxyphenyl)pentane-1,4-diene
|
252.31
|
4.4
|
2
|
2
|
40.46
|
4
|
|
|
5-Hydroxy-2-[5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-7-methyl-1,4-dioxonaphthalen-2-yl]-6-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-7-methylnaphthalene-1,4-dione
|
746.70
|
7.2
|
4
|
12
|
217.48
|
3
|
|
|
4-Octylphenol
|
206.32
|
5.3
|
1
|
1
|
20.23
|
7
|
|
|
Aethiopinone
|
296.40
|
5.5
|
0
|
2
|
34.14
|
5
|
|
|
(1S,4R,6R,7E,11R,12S)-14,16-dihydroxy-1,5,5,8-tetramethyl-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.04,6.013,18]nonadeca-7,13,15,17-tetraene-15,17-dicarbaldehyde
|
454.60
|
6.6
|
2
|
5
|
83.83
|
4
|
|
|
3-(3,4-dihydroxyphenyl)-N-[3-({4-[3-(3,4-dihydroxyphenyl)propanamido]butyl}amino)propyl]propanamide
|
473.60
|
1.9
|
7
|
7
|
151.15
|
15
|
|
|
9,10-Dihydroxyheptadec-1-en-11,13-diyn-8-yl acetate
|
320.40
|
3.8
|
2
|
4
|
66.76
|
12
|
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