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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2,3-Dibenzylbutyrolactone
|
266.30
|
4
|
0
|
2
|
26.3
|
4
|
|
|
Cyclotetradecane-1,2-dione
|
224.34
|
4.3
|
0
|
2
|
34.14
|
0
|
|
|
2-(3-Buten-1-ynyl)-5-[(E)-3-penten-1-ynyl]thiophene
|
198.29
|
4.2
|
0
|
1
|
28.24
|
2
|
|
|
(2s,6r,10r)-6,10,14-Trimethylpentadecan-2-ol
|
270.50
|
7.4
|
1
|
1
|
20.23
|
12
|
|
|
parvisoflavones-B
|
352.30
|
3.6
|
3
|
6
|
100.13
|
1
|
|
|
Peonidine-3-O-rutinoside chloride
|
645.00
|
|
9
|
15
|
239.52
|
7
|
|
|
3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
464.40
|
0.4
|
8
|
12
|
210.51
|
4
|
|
|
(4aR,5aS,8aR,13aS,15aS,15bR)-10-hydroxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
|
350.40
|
0.9
|
1
|
4
|
53.01
|
0
|
|
|
Trypethelone
|
272.29
|
2.5
|
1
|
4
|
63.6
|
0
|
|
|
(z)-1,8-Pentadecadiene
|
208.38
|
7.4
|
0
|
0
|
0
|
11
|
|
|
artonin A
|
502.60
|
6
|
3
|
7
|
109.36
|
2
|
|
|
Heterophyllin
|
504.60
|
7.1
|
4
|
7
|
120.36
|
5
|
|
|
CID 14557360
|
344.40
|
1.7
|
1
|
6
|
66.38
|
3
|
|
|
2-Propenoic acid, 3-(1H-indol-3-yl)-
|
187.19
|
2.2
|
2
|
2
|
53.09
|
2
|
|
|
4-Ethyl-12,16-dimethoxy-10-(methoxymethyl)-6-oxa-4-azaheptacyclo[15.2.1.02,7.02,11.03,13.05,10.014,19]icosane-13,14,18-triol
|
451.60
|
-0.6
|
3
|
8
|
100.85
|
5
|
|
|
10-methoxy-2-methyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one
|
280.32
|
2.1
|
1
|
2
|
47.02
|
1
|
|
|
(7'R,8'R)-4,7'-Epoxy-3',5-dimethoxy-4',9,9'-lignanetriol 9'-glucoside
|
522.50
|
0.5
|
6
|
11
|
167.53
|
10
|
|
|
Cryptoxanthin diepoxide
|
584.90
|
10.7
|
1
|
3
|
45.29
|
10
|
|
|
25-Hydroxydotriacontan-3-one
|
480.80
|
13.4
|
1
|
2
|
37.3
|
29
|
|
|
Suprofen glucuronide
|
261.27
|
-1.9
|
4
|
7
|
123.17
|
4
|
|
|
Epdermin
|
261.27
|
-1.9
|
4
|
7
|
123.17
|
4
|
|
|
(E)-3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
|
259.26
|
-1.6
|
4
|
7
|
123.17
|
4
|
|
|
1-(2-Furanyl)-3-pentanone
|
152.19
|
1.4
|
0
|
2
|
30.21
|
4
|
|
|
14,16-Dihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
|
278.34
|
5
|
2
|
4
|
66.76
|
0
|
|
|
de-O-methyllasiodiplodin
|
278.34
|
5
|
2
|
4
|
66.76
|
0
|
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