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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
CID 101973939
|
718.60
|
2.7
|
10
|
16
|
277.27
|
6
|
|
|
(E,6S)-6-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-3-ene-2,6-diol
|
460.70
|
6.9
|
3
|
3
|
60.69
|
4
|
|
|
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] benzoate
|
468.60
|
2.6
|
3
|
6
|
104.06
|
4
|
|
|
(2S)-8-[(6-ethyl-4-hydroxy-5-methyl-2-oxopyran-3-yl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
|
422.40
|
3.6
|
3
|
7
|
117.2
|
4
|
|
|
(3Z)-3-[(3,4-dihydroxy-5-methoxyphenyl)methylidene]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
372.40
|
2.9
|
3
|
7
|
105.45
|
5
|
|
|
S-Propyl-L-cysteine
|
163.24
|
-1.8
|
2
|
4
|
88.62
|
5
|
|
|
4,4-Dimethyloxetan-2-one
|
100.12
|
0.4
|
0
|
2
|
26.3
|
0
|
|
|
(7aS)-7a-(3-methylbut-2-enyl)-6-prop-2-enyl-1,3-benzodioxol-5-one
|
246.30
|
2.9
|
0
|
3
|
35.53
|
4
|
|
|
beta-CITRONELLOL, (R)-
|
156.26
|
3.2
|
1
|
1
|
20.23
|
5
|
|
|
4-Methylidene-1-propan-2-ylcyclohexan-1-ol
|
154.25
|
2.2
|
1
|
1
|
20.23
|
1
|
|
|
R-1-Propenyl 2-propenesulfinothioate
|
162.30
|
1.4
|
0
|
3
|
61.58
|
4
|
|
|
Vitamin U
|
163.24
|
-1.7
|
1
|
3
|
66.15
|
3
|
|
|
Retronecine
|
155.19
|
-1.3
|
2
|
3
|
43.7
|
1
|
|
|
methyl (1S,15R,17S,18S)-17-ethyl-5-[(1S,12S,14S,15S,18S)-15-ethyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
|
706.90
|
6.9
|
2
|
7
|
99.89
|
8
|
|
|
methyl 2-[(1S,3R,4S,7S,8S,11R,12R,13S)-2,12-dimethyl-9-oxo-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-3-yl]acetate
|
335.40
|
2.9
|
0
|
5
|
55.84
|
4
|
|
|
(3R,3aR,5aR,5bR,7aR,8S,11aS,13aS,13bR)-3a,5a,8,11a,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-8-carboxylic acid
|
440.70
|
9.1
|
1
|
2
|
37.3
|
2
|
|
|
(3R,3aR,5aR,9aR,9bR)-3-[(2S,5R)-5-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]-3a,6,6,9a-tetramethyl-2,3,4,5,5a,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-7-one
|
474.70
|
5.8
|
1
|
4
|
55.76
|
3
|
|
|
(1S,3S,4R,6S)-4,6-dimethoxycyclohexane-1,2,3,5-tetrol
|
208.21
|
-2.6
|
4
|
6
|
99.38
|
2
|
|
|
2-Formyl-5-(hydroxymethyl)-1h-pyrrole-1-butanoic acid
|
211.21
|
-0.6
|
2
|
4
|
79.53
|
6
|
|
|
Senkyunolide J
|
226.27
|
0.5
|
2
|
4
|
66.76
|
3
|
|
|
(1R,8R,9R,10S)-5'-(furan-3-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-furan]-2',3-dione
|
326.30
|
2.5
|
0
|
5
|
65.74
|
1
|
|
|
(2aR,4R,5'S,5aR,6S,7S,9S,9aR)-5'-(furan-3-yl)-4,9-dihydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2'-one
|
378.40
|
0
|
3
|
7
|
109.36
|
2
|
|
|
(1R,9R,11R,12S)-6,11-dihydroxy-13,13-dimethyl-5-propan-2-yl-8,10-dioxatetracyclo[7.7.0.01,12.02,7]hexadeca-2(7),3,5-triene-3-carbaldehyde
|
346.40
|
3.9
|
2
|
5
|
75.99
|
2
|
|
|
(1S,9S,12S)-1-hydroxy-9-methyl-12-propan-2-yl-2,3-dioxatricyclo[7.3.1.05,13]trideca-5(13),7-dien-6-one
|
264.32
|
1.8
|
1
|
4
|
55.76
|
1
|
|
|
[(1R,3S,4S,5R,6R,8R,9R,11R,13R,14R,15S,16S)-9,11-diacetyloxy-13,16-dihydroxy-3,8,12,12,15-pentamethyl-7,17-dioxatetracyclo[12.2.1.01,5.06,8]heptadecan-4-yl] benzoate
|
574.70
|
3.3
|
2
|
10
|
141.12
|
7
|
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