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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Campestanyl-18:2
|
665.10
|
17
|
0
|
2
|
26.3
|
21
|
|
|
Salvianan A
|
303.40
|
5.4
|
0
|
3
|
35.26
|
0
|
|
|
Salvianan D
|
307.40
|
5.6
|
0
|
3
|
35.26
|
0
|
|
|
ent-3beta,13R-dihydroxyatis-16-en-14-one
|
318.40
|
2.8
|
2
|
3
|
57.53
|
0
|
|
|
Salvianan B
|
289.30
|
5
|
0
|
3
|
35.26
|
0
|
|
|
(5R)-9-benzyl-5,17-dimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13,15,17,19-octaene
|
379.40
|
6.9
|
0
|
3
|
35.26
|
2
|
|
|
O-Methylmukonal
|
227.26
|
2.5
|
2
|
2
|
45.25
|
2
|
|
|
Garciosone F
|
408.40
|
5.6
|
2
|
6
|
89.13
|
3
|
|
|
S-(4-oxo-2-methylpentan-2-yl)-L-cysteine
|
219.30
|
-1.8
|
1
|
4
|
110.14
|
5
|
|
|
(2R)-2-azaniumyl-3-(prop-2-enyldisulfanyl)propanoate
|
193.30
|
-1.4
|
1
|
4
|
118.37
|
5
|
|
|
(1R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
|
315.40
|
2.5
|
3
|
5
|
70.95
|
4
|
|
|
S-(1-Hydroxyhexan-3-yl)-L-cysteine
|
221.32
|
-1.1
|
2
|
4
|
113.3
|
7
|
|
|
2,6,10,14-Hexadecatetraen-1-ol
|
234.38
|
4.1
|
1
|
1
|
20.23
|
10
|
|
|
(3R,4aR,8aS)-5,8a-dimethyl-3-propan-2-yl-2,3,4,4a-tetrahydro-1H-naphthalene
|
204.35
|
5.2
|
0
|
0
|
0
|
1
|
|
|
2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-9H-pyrano[3,2-g]quinolin-8-one
|
295.40
|
4.2
|
1
|
2
|
42.09
|
2
|
|
|
methyl (3R,4'S,4'aR,10'aS,10'bS)-4'-methyl-2-oxospiro[1H-indole-3,10'-4,4a,5,6,8,9,10a,10b-octahydropyrano[3,4-g]indolizine]-1'-carboxylate
|
368.40
|
1.6
|
1
|
5
|
67.87
|
2
|
|
|
(5S,6S)-7,9-dibromo-N-[4-[[(5S,6S)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]butyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
|
818.10
|
1
|
4
|
10
|
160.3
|
9
|
|
|
[(1S,2R,3aR,4R,5E,7R,11R,12E,13aS)-3a,4,11-triacetyloxy-7-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,7,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
|
598.70
|
3.1
|
1
|
10
|
142.5
|
9
|
|
|
(1S,3R,7R,10S,12S,13R,15S,17R,18S,21R,22S,23R,25S,29S)-12,23-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone
|
560.60
|
-0.2
|
2
|
11
|
154.89
|
0
|
|
|
(1R,16R,19S,21R)-16,20,20-trimethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene-8-carbaldehyde
|
345.40
|
4.9
|
1
|
2
|
42.09
|
1
|
|
|
methyl (3S,4aS,5R,6R,6aS,7S,11aS,11bR)-6-acetyloxy-3-benzoyloxy-4a,5-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate
|
540.60
|
3.7
|
2
|
9
|
132.5
|
7
|
|
|
(1S,2S,10S,11R,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane
|
262.40
|
3.2
|
1
|
2
|
15.27
|
0
|
|
|
12a-Hydroxydalpanol
|
428.40
|
2.1
|
2
|
8
|
103.68
|
3
|
|
|
2-hydroxy-5-methoxy-3-[(Z)-tridec-8-enyl]cyclohexa-2,5-diene-1,4-dione
|
334.40
|
5.9
|
1
|
4
|
63.6
|
12
|
|
|
Methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxopentyl)anthracen-2-yl]acetate
|
396.40
|
2.9
|
2
|
7
|
117.97
|
7
|
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