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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
24-Methylenepollinasterol
|
412.70
|
9.5
|
1
|
1
|
20.23
|
5
|
|
|
Dehydrophytosphingosine
|
315.50
|
3.7
|
4
|
4
|
86.71
|
15
|
|
|
3-Methoxy-5-pentylphenol
|
194.27
|
4
|
1
|
2
|
29.46
|
5
|
|
|
3a,5a,8,8,11b,13a-Hexamethyl-1-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
9
|
1
|
1
|
20.23
|
1
|
|
|
(3S,3aS,6E,10E,11aR)-3,10-dimethyl-2,4-dioxo-3,3a,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde
|
262.30
|
1
|
0
|
4
|
60.44
|
1
|
|
|
(3S,3aR,4S,6E,10E,11aR)-4-hydroxy-3,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde
|
264.32
|
1.2
|
1
|
4
|
63.6
|
1
|
|
|
CID 14757825
|
552.70
|
2.9
|
1
|
10
|
130.12
|
10
|
|
|
[(E,2S,3R)-3-acetyloxy-5-[(2S,3R)-3-[(2R)-6-oxo-2,3-dihydropyran-2-yl]oxiran-2-yl]pent-4-en-2-yl] acetate
|
324.32
|
1
|
0
|
7
|
91.43
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
510.50
|
0.2
|
6
|
12
|
176.76
|
7
|
|
|
Alatanin 2
|
831.70
|
|
10
|
19
|
304.51
|
14
|
|
|
Hyperxanthone
|
310.30
|
3.2
|
2
|
5
|
79.9
|
0
|
|
|
7-Oxohinokinin
|
368.30
|
3.3
|
0
|
7
|
80.29
|
4
|
|
|
(+)(-)-(E)-beta-caryophyllene
|
204.35
|
4.6
|
0
|
0
|
0
|
0
|
|
|
(3R,4S,7S)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol
|
222.37
|
3.2
|
1
|
1
|
20.23
|
1
|
|
|
(3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol
|
222.37
|
3.2
|
1
|
1
|
20.23
|
1
|
|
|
(3R,7S)-3,7-dihydroxy-3,5,5-trimethyl-7-propan-2-yl-4,6-dihydro-2H-inden-1-one
|
252.35
|
1.1
|
2
|
3
|
57.53
|
1
|
|
|
cis-Uvariamicin IB
|
592.90
|
12.9
|
2
|
5
|
75.99
|
28
|
|
|
Neoreticulatacin A
|
592.90
|
12.9
|
2
|
5
|
75.99
|
28
|
|
|
2-Methyl-6-geranylgeranyl-1,4-benzoquinol
|
396.60
|
9.1
|
2
|
2
|
40.46
|
11
|
|
|
[(2S)-2,3-dihydroxypropyl] 1-hydroxy-4-methylpyrrole-2-carboxylate
|
215.20
|
0.5
|
3
|
5
|
91.92
|
5
|
|
|
7-Methoxymurrayacine
|
307.30
|
3.7
|
1
|
3
|
51.32
|
2
|
|
|
16-Methoxy-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,13,16-pentaen-15-one
|
311.30
|
1.7
|
1
|
5
|
56.79
|
1
|
|
|
Questinol
|
300.26
|
1.8
|
3
|
6
|
104.06
|
2
|
|
|
Withangulatin A
|
526.60
|
1.8
|
2
|
8
|
122.66
|
4
|
|
|
6-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
756.70
|
-3.2
|
13
|
20
|
339.35
|
9
|
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