ALA5272154Name:
1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-cyano-guanidineMol. Formula:
C18H14Cl2N6M.W.:
385.26Type:
---AlogP:
3.73Polar Surface Area:
92.02HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA5269698Name:
[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methylureaMol. Formula:
C17H14Cl2N4OM.W.:
361.23Type:
---AlogP:
4.01Polar Surface Area:
72.94HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
---AlogP:
3.50Polar Surface Area:
70.39HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
---AlogP:
3.38Polar Surface Area:
70.39HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
---AlogP:
4.64Polar Surface Area:
102.37HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS- ALA5276870
Name:
N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)acetamideMol. Formula:
C20H20Cl2N4OM.W.:
403.31Type:
---AlogP:
4.02Polar Surface Area:
50.16HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA5286743
Name:
N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamideMol. Formula:
C17H15Cl2N3O2SM.W.:
396.30Type:
---AlogP:
3.90Polar Surface Area:
63.99HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA5285346
Name:
1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-methylsulfonyl-guanidineMol. Formula:
C18H17Cl2N5O2SM.W.:
438.34Type:
---AlogP:
3.21Polar Surface Area:
102.37HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA5285243
Name:
N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-phenyl-acetamideMol. Formula:
C24H19Cl2N3OM.W.:
436.34Type:
---AlogP:
5.71Polar Surface Area:
46.92HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
---AlogP:
3.80Polar Surface Area:
85.30HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA5291278
Name:
(E)-[amino-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methylamino]methylene]ureaMol. Formula:
C18H16Cl2N6OM.W.:
403.27Type:
---AlogP:
3.33Polar Surface Area:
111.32HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
4.49Polar Surface Area:
84.83HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5094621
Name:
5-(4-benzylpiperidin-1-yl)-2-(4-isopropylphenylsulfonamido)benzoic acidMol. Formula:
C28H32N2O4SM.W.:
492.64Type:
UnknownAlogP:
5.77Polar Surface Area:
86.71HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
4.49Polar Surface Area:
84.83HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
5.28Polar Surface Area:
92.67HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
4.49Polar Surface Area:
75.60HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
3.89Polar Surface Area:
92.67HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
3.83Polar Surface Area:
75.60HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
UnknownAlogP:
4.62Polar Surface Area:
66.37HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
5.73Polar Surface Area:
81.59HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS
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