Pneumocystis carinii
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ID: ALA613064
Type: ORGANISM
Organism: Pneumocystis carinii
Species Group: Pneumocystis carinii
Name:
1-cyclopropylamino(imino)methyl-4-{4-[4-cyclopropylamino(imino)methylphenyl]-1,4-diazepan-1-yl}benzene
Mol. Formula:
C25H32N6
M.W.:
416.57
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
78.24
HBA:
4
HBD:
4
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
Name:
1N-[4-{4-[4-butylamino(imino)methylphenyl]-1,4-diazepan-1-yl}phenyl(imino)methyl]-1-butanamine
Mol. Formula:
C27H40N6
M.W.:
448.66
Type:
Small molecule
AlogP:
4.83
Polar Surface Area:
78.24
HBA:
4
HBD:
4
#RO5 Violations:
0
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.24
Name:
2-[4-(4-{4-[2-hydroxyethylamino(imino)methyl]phenyl}-1,4-diazepan-1-yl)phenyl(imino)methylamino]-1-ethanol
Mol. Formula:
C23H32N6O2
M.W.:
424.55
Type:
Small molecule
AlogP:
1.01
Polar Surface Area:
121.20
HBA:
6
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
Name:
2N-[4-(4-{4-[tert-butylamino(imino)methyl]phenyl}-1,4-diazepan-1-yl)phenyl(imino)methyl]-2-methyl-2-propanamine
Mol. Formula:
C27H40N6
M.W.:
448.66
Type:
Small molecule
AlogP:
4.41
Polar Surface Area:
83.24
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
Name:
4-(4-{4-[(E)-amino(imino)methyl]phenyl}-1,4-diazepan-1-yl)benzenecarboximidamide
Mol. Formula:
C19H24N6
M.W.:
336.44
Type:
Small molecule
AlogP:
1.97
Polar Surface Area:
106.22
HBA:
4
HBD:
4
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
Name:
2N-imino(4-{4-[4-imino(isopropylamino)methylphenyl]-1,4-diazepan-1-yl}phenyl)methyl-2-propanamine
Mol. Formula:
C25H36N6
M.W.:
420.61
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
83.24
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
Name:
N*4*-(6-Methoxy-4-methyl-quinolin-8-yl)-pentane-1,4-diamine
Mol. Formula:
C16H23N3O
M.W.:
273.38
Type:
Small molecule
AlogP:
3.09
Polar Surface Area:
60.17
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.85
Name:
1,4-di[4-(4,5-dihydro-1H-2-imidazolyl)phenoxy]-(Z)-2-butene
Mol. Formula:
C22H24N4O2
M.W.:
376.46
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
67.24
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.69
Name:
1,4-di[4-(4,5-dihydro-1H-2-imidazolyl)phenoxy]-(E)-2-butene
Mol. Formula:
C22H24N4O2
M.W.:
376.46
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
67.24
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.69
Name:
4-[((2E)-4-{4-[(E)-amino(imino)methyl]phenoxy}but-2-enyl)oxy]benzenecarboximidamide
Mol. Formula:
C18H20N4O2
M.W.:
324.38
Type:
Small molecule
AlogP:
2.27
Polar Surface Area:
118.20
HBA:
4
HBD:
4
#RO5 Violations:
0
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34