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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Acetylpseudotropine
|
183.25
|
1.3
|
0
|
3
|
29.54
|
2
|
|
|
13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione
|
478.70
|
6.3
|
2
|
6
|
76.66
|
0
|
|
|
6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
|
207.27
|
1.7
|
1
|
3
|
30.49
|
2
|
|
|
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
|
200.23
|
2.5
|
0
|
2
|
18.46
|
1
|
|
|
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
|
578.50
|
-0.6
|
7
|
14
|
217.97
|
8
|
|
|
(1S,2S)-1-Phenyl-1,2-propanediol
|
152.19
|
1.1
|
2
|
2
|
40.46
|
2
|
|
|
Methylallyl hexasulfide
|
248.50
|
3.3
|
0
|
6
|
151.8
|
7
|
|
|
(+)-Epi-Cis-Neoclausenamide
|
297.30
|
1.5
|
2
|
3
|
60.77
|
3
|
|
|
(+)-Epi-Clausenamide
|
297.30
|
1.5
|
2
|
3
|
60.77
|
3
|
|
|
2-Epi-3a-epiburchellin
|
340.40
|
3.8
|
0
|
5
|
53.99
|
4
|
|
|
N-(E)-Caffeoyl-L-tyrosine
|
343.30
|
2.1
|
5
|
6
|
127.09
|
6
|
|
|
1-Propanol
|
60.10
|
0.3
|
1
|
1
|
20.23
|
1
|
|
|
Benzyl-dodecyl-bis(2-hydroxypropyl)azanium
|
392.60
|
6.9
|
2
|
2
|
40.46
|
17
|
|
|
Melarsoprol
|
398.30
|
|
4
|
9
|
173.57
|
4
|
|
|
N-[2-(1H-indol-3-yl)ethyl]docosanamide
|
482.80
|
12.4
|
2
|
1
|
44.89
|
23
|
|
|
(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
|
552.90
|
12.3
|
1
|
1
|
20.23
|
10
|
|
|
Nopinone
|
138.21
|
1.6
|
0
|
1
|
17.07
|
0
|
|
|
(+)-Pelletierine
|
141.21
|
0.4
|
1
|
2
|
29.1
|
2
|
|
|
(S)-3-(Allylthio)-2-aminopropanoic acid
|
161.22
|
-2.1
|
2
|
4
|
88.62
|
5
|
|
|
5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one, (S)-
|
168.23
|
1.1
|
1
|
2
|
37.3
|
1
|
|
|
8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol, (1R,2R,3R,4S,5R)-
|
175.18
|
-2.4
|
5
|
5
|
92.95
|
0
|
|
|
delta5-Tetrahydrocannabinol, (1S,3R,4R)-
|
314.50
|
6.2
|
1
|
2
|
29.46
|
4
|
|
|
3,4-Dimethoxyphenyl beta-D-glucoside
|
316.30
|
-0.5
|
4
|
8
|
117.84
|
5
|
|
|
Phytocassane A
|
316.40
|
3.4
|
1
|
3
|
54.37
|
1
|
|
|
2(1H)-Quinolinone, 4,7,8-trimethoxy-1-methyl-3-(3-methyl-2-butenyl)-
|
317.40
|
3.1
|
0
|
4
|
49.69
|
5
|
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