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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,14S)-5,5-dimethyl-4,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.03,8.015,23.017,21]tetracosa-2(11),3(8),6,9,15,17(21),22-heptaen-9-ol
|
366.40
|
3.4
|
1
|
6
|
66.38
|
0
|
|
|
(-)-3-O-acetylspectaline
|
367.60
|
5.8
|
1
|
4
|
55.4
|
15
|
|
|
Boronolide
|
370.40
|
2.4
|
0
|
8
|
105.2
|
12
|
|
|
1-[(7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-3,4,6,7,8,8a-hexahydro-2H-quinolin-1-yl]ethanone
|
372.60
|
4.1
|
0
|
2
|
23.55
|
2
|
|
|
N6-(4-Hydroxybenzyl)-adenosine
|
373.40
|
0.8
|
5
|
9
|
145.78
|
5
|
|
|
Propionate
|
73.07
|
0.9
|
0
|
2
|
40.13
|
0
|
|
|
(S)-Methyl-2-naphthoylamino-3-(4-nitrophenyl)propionate
|
378.40
|
4.2
|
1
|
5
|
98.54
|
6
|
|
|
Hydrogen sulfite
|
81.07
|
-1
|
1
|
4
|
79.57
|
0
|
|
|
(6S,7S,8R)-5,6,7-trimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene
|
382.40
|
3.7
|
0
|
5
|
46.15
|
4
|
|
|
Corynoxine
|
384.50
|
2.3
|
1
|
5
|
67.87
|
5
|
|
|
(8aR,10aR)-1,3-dihydroxy-8a-methyl-2-(3-methylbutanoyl)-6-propan-2-yl-7,8,9,10a-tetrahydroxanthene-4-carbaldehyde
|
386.50
|
5.1
|
2
|
5
|
83.83
|
5
|
|
|
(1S,4S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,8,17-tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
|
394.40
|
-0.9
|
4
|
8
|
133.52
|
0
|
|
|
Samaderine E
|
394.40
|
-1.9
|
4
|
8
|
133.52
|
0
|
|
|
Cratoxyarborenone B
|
396.40
|
5.9
|
4
|
6
|
111.13
|
4
|
|
|
4,5,14,15,16-Pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaen-8-ol
|
399.40
|
4.1
|
1
|
7
|
69.62
|
5
|
|
|
Pteroside
|
402.40
|
1.1
|
6
|
8
|
143.75
|
4
|
|
|
Cilinaphthalide B
|
410.40
|
4.1
|
0
|
7
|
72.45
|
6
|
|
|
Peperomin E
|
412.40
|
3.5
|
0
|
8
|
81.68
|
5
|
|
|
23-(Furan-2-yl)tricosa-5,7-diynoic acid
|
412.60
|
9.4
|
1
|
3
|
50.44
|
19
|
|
|
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1-propanol
|
418.50
|
4.1
|
1
|
7
|
75.61
|
11
|
|
|
[6-acetyloxy-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
|
422.50
|
1.8
|
0
|
8
|
100.66
|
11
|
|
|
Isoiguesterol
|
422.60
|
5.6
|
2
|
3
|
57.53
|
1
|
|
|
Butyrate
|
87.10
|
1.4
|
0
|
2
|
40.13
|
1
|
|
|
[2,2-Dimethyl-3-(3-methylbut-2-enoyloxy)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] 3-methylbut-2-enoate
|
426.50
|
4.8
|
0
|
7
|
92.04
|
6
|
|
|
Nirtetralin
|
430.50
|
3.6
|
0
|
7
|
64.61
|
8
|
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