Klebsiella pneumoniae
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ID: ALA350
Type: ORGANISM
Organism: Klebsiella pneumoniae
Species Group: Klebsiella pneumoniae
Name | Specifications | Species reactivity | species | Application | View Details |
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Name:
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid
Mol. Formula:
C17H18FN3O3
M.W.:
331.35
Type:
Small molecule
AlogP:
1.58
Polar Surface Area:
74.57
HBA:
5
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
Name:
3-Oxo-3H-benzo[c]isoxazole-1-carboxylic acid methylamide
Mol. Formula:
C9H8N2O3
M.W.:
192.17
Type:
Small molecule
AlogP:
0.78
Polar Surface Area:
64.24
HBA:
4
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
0
Passes Ro3:
N
QED Weighted:
0.67
Name:
N-(2-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenoxy}-phenyl)-acetamide
Mol. Formula:
C20H20FN3O5
M.W.:
401.39
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
96.97
HBA:
5
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.78
Name:
4,9-Dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid allylamide
Mol. Formula:
C15H11N3O3
M.W.:
281.27
Type:
Small molecule
AlogP:
1.10
Polar Surface Area:
91.92
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
Name:
4-Amino-N-[5-amino-4-(3-amino-6-aminomethyl-tetrahydro-pyran-2-yloxy)-2-(4-amino-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-3-hydroxy-cyclohexyl]-2-hydroxy-butyramide
Mol. Formula:
C22H44N6O9
M.W.:
536.63
Type:
Small molecule
AlogP:
-6.13
Polar Surface Area:
288.04
HBA:
14
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
Name:
7-(4-(2-(4-chlorophenyl)-2-(methoxyimino)ethyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Mol. Formula:
C26H26ClFN4O4
M.W.:
512.97
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
87.37
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
Name:
2-bromo-5-methoxy-benzoic acid N'-[4-(2-chloro-pyridin-4-yl)-2H-1lambda*4*-thiazol-2-yl]-hydrazide
Mol. Formula:
C16H12BrClN4O2S
M.W.:
439.72
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
76.14
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
Name:
4-tert-butyl-N-(2-hydroxy-4-nitrophenyl)benzamide
Mol. Formula:
C17H18N2O4
M.W.:
314.34
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
92.47
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51