ID: ALA612880
Type: ORGANISM
Organism: Leishmania mexicana
Species Group: Leishmania mexicana
Name:
(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-((Z)-1-(2-(pyridin-2-yl)hydrazono)ethyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
Mol. Formula:
C26H39N3O
M.W.:
409.62
Type:
Small molecule
AlogP:
5.89
Polar Surface Area:
57.51
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
Name:
5-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzo[d]imidazole
Mol. Formula:
C14H7Cl2F3N2O
M.W.:
347.12
Type:
Small molecule
AlogP:
5.68
Polar Surface Area:
37.91
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
Name:
5-(2,3-Dichlorophenoxy)-1-methyl-2-(trifluoromethyl)-1Hbenzimidazole
Mol. Formula:
C15H9Cl2F3N2O
M.W.:
361.15
Type:
Small molecule
AlogP:
5.69
Polar Surface Area:
27.05
HBA:
3
HBD:
0
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.59
Name:
6-(2,3-Dichlorophenoxy)-1-methyl-2-(trifluoromethyl)-1Hbenzimidazole
Mol. Formula:
C15H9Cl2F3N2O
M.W.:
361.15
Type:
Small molecule
AlogP:
5.69
Polar Surface Area:
27.05
HBA:
3
HBD:
0
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.59
Name:
5(6)-Chloro-6(5)-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole
Mol. Formula:
C14H6Cl3F3N2O
M.W.:
381.57
Type:
Small molecule
AlogP:
6.33
Polar Surface Area:
37.91
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
Name:
6(5)-Chloro-5(6)-(1-naphthyloxy)-2-(trifluoromethyl)-1Hbenzimidazole
Mol. Formula:
C18H10ClF3N2O
M.W.:
362.74
Type:
Small molecule
AlogP:
6.18
Polar Surface Area:
37.91
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
Name:
6-Chloro-1-methyl-5-(1-naphthyloxy)-2-(trifluoromethyl)-1Hbenzimidazole
Mol. Formula:
C19H12ClF3N2O
M.W.:
376.76
Type:
Small molecule
AlogP:
6.19
Polar Surface Area:
27.05
HBA:
3
HBD:
0
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.42
Name:
5-Chloro-1-methyl-6-(1-naphthyloxy)-2-(trifluoromethyl)-1H-benzimidazole
Mol. Formula:
C19H12ClF3N2O
M.W.:
376.77
Type:
Small molecule
AlogP:
6.19
Polar Surface Area:
27.05
HBA:
3
HBD:
0
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.42
Name:
methyl-1-[4-(2,4-diaminopteridin-6-ylmethylamino)benzoyl]-piperidine-4-carboxylate
Mol. Formula:
C21H24N8O3
M.W.:
436.48
Type:
Small molecule
AlogP:
1.22
Polar Surface Area:
162.24
HBA:
10
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50