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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
alpha-Onocerin diacetate
|
526.80
|
8.6
|
0
|
4
|
52.6
|
7
|
|
|
(+)-16-Gammaceren-3beta-ol
|
426.70
|
9.3
|
1
|
1
|
20.23
|
0
|
|
|
(3R,4aR,6aS,6aR,6bR,12aR,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,10,11,12,13,14,14a-tetradecahydropicen-3-ol
|
426.70
|
9.3
|
1
|
1
|
20.23
|
0
|
|
|
(4aR,6aS,6aR,6bR,12aR,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-2,4a,5,6,6a,7,10,11,12,13,14,14a-dodecahydro-1H-picen-3-one
|
424.70
|
9
|
0
|
1
|
17.07
|
0
|
|
|
CID 14447666
|
470.80
|
10.7
|
0
|
2
|
26.3
|
2
|
|
|
4,8-Dimethoxy-8-(3-methylbut-2-enyl)-5,6-dihydrofuro[2,3-b]quinolin-7-one
|
315.40
|
3
|
0
|
5
|
61.56
|
4
|
|
|
7,8,18,28,29,35,55,56,57,58-Decahydroxy-23,30,54-tris(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione
|
1217.30
|
-0.9
|
13
|
26
|
406.5
|
3
|
|
|
(1S,2S,5R,7R,12R,13S,14S)-5,12-dihydroxy-2,13,14-trimethyl-4,10-dioxatetracyclo[5.3.3.12,5.01,7]tetradecan-9-one
|
282.33
|
0.6
|
2
|
5
|
75.99
|
0
|
|
|
Atractylenolide II
|
232.32
|
2.9
|
0
|
2
|
26.3
|
0
|
|
|
8-Epiasterolide
|
232.32
|
2.9
|
0
|
2
|
26.3
|
0
|
|
|
3,8a-dimethyl-5-methylidene-4H,4aH,6H,7H,8H-naphtho[2,3-b]furan-2-one
|
230.30
|
3
|
0
|
2
|
26.3
|
0
|
|
|
5-(4-Methyl-2-furyl)-6-methylheptan-2-one
|
208.30
|
2.8
|
0
|
2
|
30.21
|
5
|
|
|
10-Hydroxypentadecanoic acid
|
258.40
|
4.7
|
2
|
3
|
57.53
|
13
|
|
|
2,2-Dimethylpentanoic acid
|
130.18
|
2.1
|
1
|
2
|
37.3
|
3
|
|
|
(2S)-3-methyl-2-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]butanoic acid
|
309.40
|
2.3
|
2
|
4
|
83.47
|
8
|
|
|
CID 14455513
|
323.40
|
2.7
|
2
|
4
|
83.47
|
9
|
|
|
Annonacinone
|
594.90
|
7.9
|
3
|
7
|
113.29
|
26
|
|
|
(3S,5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-6-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
|
594.90
|
7.6
|
2
|
7
|
110.13
|
26
|
|
|
3-Deacetylsalannin
|
554.70
|
3.4
|
1
|
8
|
104.43
|
7
|
|
|
2,2,3,4-Tetramethylpentane
|
128.25
|
4.1
|
0
|
0
|
0
|
2
|
|
|
S99Zay9qdt
|
338.40
|
4.1
|
0
|
5
|
53.99
|
1
|
|
|
3,5-Dihydroxy-2-tridecylbenzoic acid
|
336.50
|
7.5
|
3
|
4
|
77.76
|
13
|
|
|
1,3-Dihydroxy-5-(6''-pentadecenyl)benzene
|
318.50
|
8.6
|
2
|
2
|
40.46
|
13
|
|
|
(3R)-3-hydroxy-L-aspartic acid
|
149.10
|
-4.4
|
4
|
6
|
120.85
|
3
|
|
|
3-Alpha-Acetonyltabersonine
|
392.50
|
3.1
|
1
|
5
|
58.64
|
5
|
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