Type:
---AlogP:
1.65Polar Surface Area:
127.72HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
---AlogP:
0.94Polar Surface Area:
136.95HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
-1.26Polar Surface Area:
175.01HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.31DETAILS
Type:
Small moleculeAlogP:
-1.02Polar Surface Area:
159.08HBA:
11HBD:
3#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.45DETAILS
ALA4105328Name:
4-(5-Nitrofuran-2-yl)-5-(3-trifluoromethylphenyl)pyrimidineMol. Formula:
C15H8F3N3O3M.W.:
335.24Type:
Small moleculeAlogP:
4.33Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS- ALA4102919
Name:
5-(3-Fluorophenyl)-4-(5-nitrofuran-2-yl)pyrimidineMol. Formula:
C14H8FN3O3M.W.:
285.23Type:
Small moleculeAlogP:
3.45Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4095171
Name:
4-(5-Nitrofuran-2-yl)-5-(4-trifluoromethylphenyl)pyrimidineMol. Formula:
C15H8F3N3O3M.W.:
335.24Type:
Small moleculeAlogP:
4.33Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4091767
Name:
5-(3,5-Bis-trifluoromethylphenyl)-4-(5-nitrofuran-2-yl)pyrimidineMol. Formula:
C16H7F6N3O3M.W.:
403.24Type:
Small moleculeAlogP:
5.35Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4090325
Name:
5-(2-Fluorophenyl)-4-(5-nitrofuran-2-yl)pyrimidineMol. Formula:
C14H8FN3O3M.W.:
285.23Type:
Small moleculeAlogP:
3.45Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4087465
Name:
4-(5-Nitrofuran-2-yl)-5-(2-trifluoromethylphenyl)pyrimidineMol. Formula:
C15H8F3N3O3M.W.:
335.24Type:
Small moleculeAlogP:
4.33Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4086489
Name:
5-(3,5-Difluorophenyl)-4-(5-nitrofuran-2-yl)pyrimidineMol. Formula:
C14H7F2N3O3M.W.:
303.22Type:
Small moleculeAlogP:
3.59Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4078641
Name:
5-(4-Fluorophenyl)-4-(5-nitrofuran-2-yl)pyrimidineMol. Formula:
C14H8FN3O3M.W.:
285.23Type:
Small moleculeAlogP:
3.45Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.31Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4067748
Name:
5-(2,4-Bis-trifluoromethylphenyl)-4-(5-nitrofuran-2-yl)pyrimidineMol. Formula:
C16H7F6N3O3M.W.:
403.24Type:
Small moleculeAlogP:
5.35Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4065042
Name:
5-(2,4-Difluorophenyl)-4-(5-nitrofuran-2-yl)pyrimidineMol. Formula:
C14H7F2N3O3M.W.:
303.22Type:
Small moleculeAlogP:
3.59Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
2.41Polar Surface Area:
82.06HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3274663
Name:
11-(1-methyl-5-nitro-1H-imidazol-2-ylthio)undecanoic acidMol. Formula:
C15H25N3O4SM.W.:
343.45Type:
Small moleculeAlogP:
4.02Polar Surface Area:
98.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA3274661
Name:
10-(1-methyl-5-nitro-1H-imidazol-2-ylthio)decanoic acidMol. Formula:
C14H23N3O4SM.W.:
329.42Type:
Small moleculeAlogP:
3.63Polar Surface Area:
98.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA3274660
Name:
9-(1-methyl-5-nitro-1H-imidazol-2-ylthio)nonanoic acidMol. Formula:
C13H21N3O4SM.W.:
315.39Type:
Small moleculeAlogP:
3.24Polar Surface Area:
98.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA3274657
Name:
7-(1-methyl-5-nitro-1H-imidazol-2-ylthio)heptanoic acidMol. Formula:
C11H17N3O4SM.W.:
287.34Type:
Small moleculeAlogP:
2.46Polar Surface Area:
98.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS
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