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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Veranisatin A
|
342.34
|
-1.4
|
3
|
8
|
122.52
|
2
|
|
|
Veranisatin B
|
356.32
|
-1.4
|
3
|
9
|
139.59
|
2
|
|
|
(Z)-1,5-Tridecadiene
|
180.33
|
5.8
|
0
|
0
|
0
|
9
|
|
|
(Z)-2-Heptenyl acetate
|
156.22
|
2.5
|
0
|
2
|
26.3
|
6
|
|
|
1,2,6-Tri-o-galloyl-beta-d-allose
|
636.50
|
0.4
|
11
|
18
|
310.66
|
10
|
|
|
galloyl(-2)[galloyl(-3)][galloyl(-6)]Gal(b)-O-galloyl
|
788.60
|
1.5
|
13
|
22
|
377.42
|
13
|
|
|
Delta 7-avenasterol
|
412.70
|
8.6
|
1
|
1
|
20.23
|
5
|
|
|
(3S,5S,9R,10S,13R,14R,17R)-17-((R,E)-5-Isopropylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.6
|
1
|
1
|
20.23
|
5
|
|
|
procyanidin B1 3-O-gallate
|
730.60
|
3.5
|
12
|
16
|
287.52
|
6
|
|
|
ent-Epicatechin-(4alpha->8)-ent-epicatechin 3-gallate
|
730.60
|
3.5
|
12
|
16
|
287.52
|
6
|
|
|
(2R,2'R,3S,3'S,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-[4,8'-bichroman]-3,3'-diyl bis(3,4,5-trihydroxybenzoate)
|
882.70
|
4.7
|
14
|
20
|
354.28
|
9
|
|
|
D-Gluconic acid, 6-ester with N,N-dimethylglycine
|
281.26
|
-5
|
5
|
9
|
147.76
|
9
|
|
|
cis-Cinnamoylcocaine
|
329.40
|
2.7
|
0
|
5
|
55.84
|
6
|
|
|
2-Bromotetradecane
|
277.28
|
7.6
|
0
|
0
|
0
|
11
|
|
|
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (-)-
|
128.13
|
0.4
|
1
|
3
|
46.53
|
0
|
|
|
1,3-Dimethyladamantane
|
164.29
|
4.6
|
0
|
0
|
0
|
0
|
|
|
Adenine deoxyribonucleoside
|
251.24
|
-0.5
|
3
|
7
|
119.31
|
2
|
|
|
Protosappanin A
|
272.25
|
2
|
3
|
5
|
86.99
|
0
|
|
|
Isoannonacin
|
596.90
|
8.1
|
3
|
7
|
113.29
|
26
|
|
|
2-Methyl-1-nitrobutane
|
117.15
|
1.7
|
0
|
2
|
43.14
|
2
|
|
|
1-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
212.20
|
-1.1
|
3
|
5
|
86.99
|
2
|
|
|
2-[4,5-Dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-6-(8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1031.20
|
-1
|
11
|
21
|
314.83
|
9
|
|
|
delta-Decalactone
|
170.25
|
2.5
|
0
|
2
|
26.3
|
4
|
|
|
CID 12810388
|
468.50
|
-6.4
|
10
|
14
|
248.39
|
6
|
|
|
Unii-4W8R3urs2H
|
468.50
|
-6.4
|
10
|
14
|
248.39
|
6
|
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