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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Stemar-13-ene
|
272.50
|
6.7
|
0
|
0
|
0
|
0
|
|
|
7-Hydroxy-9H-carbazole-3-carbaldehyde
|
211.22
|
2.5
|
2
|
2
|
53.09
|
1
|
|
|
N-methoxy-3-hydroxymethylcarbazole
|
227.26
|
2.9
|
1
|
2
|
34.39
|
2
|
|
|
1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazole-3-carbaldehyde
|
434.50
|
5.8
|
1
|
3
|
56.25
|
5
|
|
|
(6Z)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]isoindol-8-one
|
380.40
|
2.8
|
1
|
6
|
69.26
|
4
|
|
|
(1R,13S,24S)-12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-2,4(8),9,14,16(20),21-hexaen-24-ol
|
353.40
|
2.2
|
1
|
6
|
60.39
|
0
|
|
|
(+)-Simalikalactone
|
478.50
|
0.6
|
3
|
9
|
139.59
|
4
|
|
|
Morindin
|
564.50
|
-0.6
|
8
|
14
|
232.9
|
5
|
|
|
Cyclododecene
|
166.30
|
5.7
|
0
|
0
|
0
|
0
|
|
|
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
|
245.27
|
1.6
|
0
|
3
|
46.61
|
3
|
|
|
Cyclodecanol
|
156.26
|
2.7
|
1
|
1
|
20.23
|
0
|
|
|
Isouvaretin
|
378.40
|
4.9
|
3
|
5
|
86.99
|
7
|
|
|
L-Alanine, L-I(3)-glutamyl-3-(5-oxo-2(5H)-isoxazolyl)-
|
301.25
|
-3.9
|
4
|
9
|
164.86
|
8
|
|
|
(2S)-2-amino-5-oxo-5-[2-(5-oxo-1,2-oxazol-2-yl)ethylamino]pentanoic acid
|
257.24
|
-3.5
|
3
|
7
|
127.56
|
7
|
|
|
3-Buten-2-ol, 4-phenyl-
|
148.20
|
2.1
|
1
|
1
|
20.23
|
2
|
|
|
[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
|
614.60
|
2.1
|
7
|
13
|
216.58
|
8
|
|
|
3,4-Dihydroxymandelaldehyde
|
168.15
|
-0.6
|
3
|
4
|
77.76
|
2
|
|
|
6,8-Dihydroxy-1,1,7-tris(3-methylbut-2-enyl)-3,4-dihydroxanthene-2,9-dione
|
450.60
|
6.8
|
2
|
5
|
87.74
|
6
|
|
|
1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione
|
238.24
|
1.2
|
0
|
5
|
61.83
|
5
|
|
|
3-(2-Methoxyphenyl)acrylaldehyde
|
162.18
|
1.7
|
0
|
2
|
26.3
|
3
|
|
|
5-Hydroxypiperidine-2-carboxylic acid
|
145.16
|
-3
|
3
|
4
|
69.56
|
1
|
|
|
5,6-Dehydroeurycomalactone
|
346.40
|
0.1
|
2
|
6
|
100.9
|
0
|
|
|
Octadec-13-enoic acid
|
282.50
|
7.2
|
1
|
2
|
37.3
|
15
|
|
|
(3S,4R,4aR,6aR,6bS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,12,14,14a-dodecahydro-1H-picen-3-ol
|
426.70
|
6.8
|
2
|
2
|
40.46
|
1
|
|
|
Aranciamycin
|
544.50
|
0.3
|
5
|
12
|
189.28
|
4
|
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