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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
alpha-Cadinene
|
204.35
|
4.1
|
0
|
0
|
0
|
1
|
|
|
(+)-alpha-Bulgarene
|
204.35
|
4.1
|
0
|
0
|
0
|
1
|
|
|
delta-Cadinene
|
204.35
|
3.8
|
0
|
0
|
0
|
1
|
|
|
(-)-delta-Cadinene
|
204.35
|
3.8
|
0
|
0
|
0
|
1
|
|
|
(+)-delta-Amorphene
|
204.35
|
3.8
|
0
|
0
|
0
|
1
|
|
|
N-[1-[(13E)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-4-methylpentanamide
|
631.80
|
5.3
|
3
|
6
|
120.08
|
10
|
|
|
(1S,11R)-14-methoxy-19-methyl-5,7-dioxa-19-azapentacyclo[9.7.2.02,10.04,8.012,17]icosa-2,4(8),9,12,14,16-hexaen-15-ol
|
325.40
|
2.7
|
1
|
5
|
51.16
|
1
|
|
|
16-Methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,13,16-pentaen-15-ol
|
327.40
|
1.6
|
1
|
5
|
51.16
|
1
|
|
|
(2S,4S)-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one
|
313.40
|
2.3
|
0
|
4
|
38.77
|
2
|
|
|
(2S,4R)-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one
|
313.40
|
2.3
|
0
|
4
|
38.77
|
2
|
|
|
18alpha-Oleanane
|
412.70
|
11.6
|
0
|
0
|
0
|
0
|
|
|
alpha-Amyrenone
|
424.70
|
8.7
|
0
|
1
|
17.07
|
0
|
|
|
beta-Amyrone
|
424.70
|
8.8
|
0
|
1
|
17.07
|
0
|
|
|
6,7-Dihydro-2,6-dimethyl-5H-cyclopentapyrazine
|
148.20
|
1.3
|
0
|
2
|
25.78
|
0
|
|
|
Annopodine
|
291.40
|
1.3
|
1
|
4
|
49.77
|
2
|
|
|
Antiogenin
|
406.50
|
-0.1
|
4
|
6
|
107.22
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1S,2S,4R,5R,6S,10S)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
362.33
|
-3.2
|
6
|
10
|
161.6
|
3
|
|
|
CID 12306731
|
308.50
|
5.1
|
2
|
2
|
40.46
|
4
|
|
|
NoName_4032
|
246.35
|
1.4
|
0
|
2
|
23.55
|
0
|
|
|
Aphyllidine
|
246.35
|
1.4
|
0
|
2
|
23.55
|
0
|
|
|
i17-Oxo-alpha-Isosparteine
|
248.36
|
1.7
|
0
|
2
|
23.55
|
0
|
|
|
(1S,2R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
|
248.36
|
1.7
|
0
|
2
|
23.55
|
0
|
|
|
L-Apiose
|
150.13
|
-2.2
|
4
|
5
|
90.15
|
1
|
|
|
Agn-PC-0nihb1
|
224.34
|
0.9
|
1
|
3
|
32.34
|
4
|
|
|
(R)-(+)-Anatabine
|
160.22
|
0.9
|
1
|
2
|
24.92
|
1
|
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