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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Angeloylgomisin Q
|
530.60
|
4.7
|
1
|
9
|
101.91
|
9
|
|
|
(8-Methyl-2-oxochromen-7-yl) acetate
|
218.20
|
2
|
0
|
4
|
56.51
|
2
|
|
|
3-[(1S,4R,7S,10S,13S,16S)-24-hydroxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaen-7-yl]propanoic acid
|
814.90
|
2.5
|
5
|
11
|
224.22
|
6
|
|
|
RA-Xiii
|
977.00
|
0.7
|
8
|
16
|
303.37
|
9
|
|
|
(1S,4R,10S,13S,16S,19S)-13-[(4-methoxyphenyl)methyl]-4,12,16,18,32-pentamethyl-27-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-25-oxa-3,6,12,15,18,32-hexazapentacyclo[17.12.2.221,24.126,30.06,10]hexatriaconta-21,23,26,28,30(34),35-hexaene-2,5,7,11,14,17,33-heptone
|
959.00
|
0.9
|
6
|
15
|
274.35
|
6
|
|
|
1-Dehydro-10-gingerdione
|
346.50
|
5.7
|
1
|
4
|
63.6
|
13
|
|
|
Stigmast-5-en-7-one
|
412.70
|
9.8
|
0
|
1
|
17.07
|
6
|
|
|
17-Hydroxyandrostan-3-one
|
290.40
|
3.7
|
1
|
2
|
37.3
|
0
|
|
|
(4E,8E)-(+)-2,6,6,9-Tetramethyl-4,8-cycloundecadien-1-one
|
220.35
|
3.8
|
0
|
1
|
17.07
|
0
|
|
|
Menisporphine
|
321.30
|
3.2
|
0
|
5
|
57.65
|
3
|
|
|
2-(1-Hydroxyethyl)naphtho(2,3-b)furan-4,9-dione
|
242.23
|
1.8
|
1
|
4
|
67.51
|
1
|
|
|
[(E,3R)-2-hydroxy-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyoct-6-en-3-yl] formate
|
360.40
|
3.5
|
1
|
6
|
85.97
|
9
|
|
|
7-[(E,6R)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-enoxy]chromen-2-one
|
346.40
|
3.5
|
1
|
5
|
68.9
|
8
|
|
|
Adenanthin
|
490.50
|
1.8
|
1
|
9
|
133.27
|
6
|
|
|
9-Dehydrohecogenin
|
428.60
|
4.5
|
1
|
4
|
55.76
|
0
|
|
|
Howiicin F
|
596.90
|
8.8
|
4
|
7
|
116.45
|
26
|
|
|
(2S,4aS,4bR,7S,8R,8aR,10aR)-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2,5'-diol
|
412.60
|
6.8
|
2
|
3
|
49.69
|
0
|
|
|
1,3,5,11-Tridecatetraene-7,9-diyne
|
168.23
|
4.2
|
0
|
0
|
0
|
3
|
|
|
[(3R,5Z,8Z)-undeca-1,5,8-trien-3-yl] acetate
|
208.30
|
3.5
|
0
|
2
|
26.3
|
8
|
|
|
1,2-Epoxyhexane
|
100.16
|
1.9
|
0
|
1
|
12.53
|
3
|
|
|
1-Furfurylpyrrole
|
147.17
|
1.4
|
0
|
1
|
18.07
|
2
|
|
|
3,6,7,8-Tetramethoxyphenanthrene-1,4-dione
|
328.30
|
2.8
|
0
|
6
|
71.06
|
4
|
|
|
30-Hydroxylup-20(29)-en-3-one
|
440.70
|
8.3
|
1
|
2
|
37.3
|
2
|
|
|
15alpha-Hydroxyfriedelan-3-one
|
442.70
|
8.5
|
1
|
2
|
37.3
|
0
|
|
|
(4R,4aR,6aS,6aS,6bR,7S,8aR,12aR,14aR,14bS)-7-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picene-1,3-dione
|
456.70
|
7.8
|
1
|
3
|
54.37
|
0
|
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