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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2(5H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)-
|
352.30
|
3.2
|
0
|
6
|
63.22
|
4
|
|
|
Heptacosanoate;hydron
|
410.70
|
|
1
|
2
|
40.13
|
24
|
|
|
Isopropyl propyl disulfide
|
150.30
|
2.6
|
0
|
2
|
50.6
|
4
|
|
|
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxotetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid
|
444.60
|
9.2
|
1
|
3
|
54.37
|
12
|
|
|
CID 11854305
|
454.70
|
7.2
|
1
|
3
|
54.37
|
5
|
|
|
Dehydroandrograpolide Succinate
|
532.60
|
2.7
|
2
|
10
|
153.5
|
13
|
|
|
Capsianoside E
|
1711.90
|
0.4
|
21
|
37
|
580.35
|
43
|
|
|
Capsianside C
|
1727.90
|
-0.7
|
22
|
38
|
600.58
|
43
|
|
|
(2R,3R,4S,5S)-2-[[(1S,2R,3S,9S,17R,19R,22R)-2-hydroxy-22-(2-methoxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
|
634.80
|
4.2
|
4
|
9
|
127.07
|
4
|
|
|
(2R,3R,4S,5S)-2-[[(1S,2R,3S,9S,17R,19R,22R)-2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
|
636.80
|
2.4
|
6
|
10
|
158.3
|
3
|
|
|
[1,1'-Biphenyl]-4-ol, 2'-methoxy-3,5'-di-2-propenyl-
|
280.40
|
5.3
|
1
|
2
|
29.46
|
6
|
|
|
1-(2,4-Dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one
|
286.28
|
3.1
|
3
|
5
|
86.99
|
4
|
|
|
Epiglobulol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
[(1S,2R)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl] 7-methoxy-1,3-benzodioxole-5-carboxylate
|
446.40
|
3.2
|
0
|
9
|
98.75
|
10
|
|
|
[(1R,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl] 3,4,5-trimethoxybenzoate
|
446.40
|
3.2
|
0
|
9
|
98.75
|
10
|
|
|
(1S,2Z,7E,11R)-8-(hydroxymethyl)-12,12-dimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one
|
234.33
|
2.1
|
1
|
2
|
37.3
|
1
|
|
|
Kissoone C
|
276.40
|
2.7
|
0
|
3
|
43.37
|
3
|
|
|
5,9,10-Trihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
|
394.40
|
5.3
|
3
|
6
|
100.13
|
2
|
|
|
(2S)-5,9,10-trihydroxy-1,1,2-trimethyl-4-(3-methylbut-2-enyl)-2H-furo[2,3-c]xanthen-6-one
|
396.40
|
5.7
|
3
|
6
|
100.13
|
2
|
|
|
Pseudotropinium
|
142.22
|
0.8
|
2
|
1
|
24.67
|
0
|
|
|
(2S,4R,5R)-oxane-2,4,5-triol
|
134.13
|
-1.5
|
3
|
4
|
69.92
|
0
|
|
|
3,13,21-Triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),4,6,8,15,17,19-heptaen-14-one
|
289.30
|
2.6
|
1
|
3
|
46.92
|
0
|
|
|
(S)-1-(3,4-Dimethoxyphenyl)prop-2-en-1-ol
|
194.23
|
1.5
|
1
|
3
|
38.69
|
4
|
|
|
(5aR,8aR,9S)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
|
400.40
|
2.6
|
2
|
8
|
103.68
|
3
|
|
|
8,12-Epoxy-13,14,15,16-tetranorlabdane
|
236.39
|
4.7
|
0
|
1
|
9.23
|
0
|
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