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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cyclobranol
|
440.70
|
10.4
|
1
|
1
|
20.23
|
4
|
|
|
(23S)-23-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
|
363.40
|
4.1
|
0
|
6
|
49.39
|
1
|
|
|
(1S,5S,5'R,6S,9R,11R)-11-hydroxy-5'-(hydroxymethyl)-4',4'-dimethyl-10-methylidenespiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,6'-cyclohex-2-ene]-1',2-dione
|
346.40
|
1.2
|
2
|
5
|
83.83
|
1
|
|
|
2-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]acetaldehyde
|
180.29
|
2.5
|
0
|
1
|
17.07
|
2
|
|
|
2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
|
478.40
|
-2.1
|
6
|
13
|
185.99
|
9
|
|
|
CID 13922640
|
224.30
|
0
|
2
|
3
|
57.53
|
1
|
|
|
(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide
|
319.40
|
4.1
|
2
|
3
|
58.56
|
10
|
|
|
2-(p-Methoxyphenyl)ethyl beta-d-glucopyranoside
|
314.33
|
-0.1
|
4
|
7
|
108.61
|
6
|
|
|
alpha-Methyl-n-butylshikonin
|
360.40
|
5.3
|
3
|
5
|
94.83
|
6
|
|
|
(2S)-2,7-dimethyl-8-(3-methylbut-2-enyl)-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromen-5-ol
|
326.50
|
6.6
|
1
|
2
|
29.46
|
4
|
|
|
Mesembrenol
|
289.40
|
2.3
|
1
|
4
|
41.93
|
3
|
|
|
3-(4-Methylfuran-3-yl)propan-1-ol
|
140.18
|
1.3
|
1
|
2
|
33.37
|
3
|
|
|
CID 139267841
|
290.27
|
1.8
|
2
|
6
|
100.9
|
3
|
|
|
(7S)-1-(beta-D-glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate
|
406.40
|
-2.7
|
6
|
11
|
175.37
|
5
|
|
|
(5alpha,8xi,10xi,13xi,25xi)-Cevane-3,6,20-triol
|
431.70
|
4.1
|
3
|
4
|
63.93
|
0
|
|
|
(4alpha,5xi,7alpha,13xi,15alpha)-4,9-Epoxycevane-3,4,7,14,15,16,20-heptol
|
509.60
|
-1
|
7
|
9
|
154.08
|
0
|
|
|
methyl (1S,6R)-6',7'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
|
428.50
|
1.6
|
1
|
7
|
86.33
|
4
|
|
|
Nor-C-fluorocurarine
|
292.40
|
2
|
1
|
3
|
32.34
|
1
|
|
|
Soyasaponin beta-A
|
1039.20
|
3.1
|
10
|
20
|
310.28
|
10
|
|
|
[(1S,4S,5R,6S,8R,9S,13S,16S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
|
682.80
|
1
|
2
|
11
|
144.3
|
10
|
|
|
(4aR,7R,7aR)-7-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
|
154.21
|
2.1
|
0
|
2
|
26.3
|
0
|
|
|
Methyl 5,5-dimethylcyclohepta-1,3,6-triene-1-carboxylate
|
178.23
|
3.1
|
0
|
2
|
26.3
|
2
|
|
|
1-Methoxy-3-methylene-2-pentanone
|
128.17
|
1.2
|
0
|
2
|
26.3
|
4
|
|
|
2-O-Methyl-alpha-D-xylopyranose
|
164.16
|
-2
|
3
|
5
|
79.15
|
1
|
|
|
(2S,3R,4S,5R)-3,4-dimethoxyoxane-2,5-diol
|
178.18
|
-1.4
|
2
|
5
|
68.15
|
2
|
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