Type:
---AlogP:
3.49Polar Surface Area:
106.35HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4536638
Name:
N-[4-(diethylamino)phenyl]-3-phenyl-1H-pyrazole-4-carboxamideMol. Formula:
C20H22N4OM.W.:
334.42Type:
UnknownAlogP:
4.18Polar Surface Area:
61.02HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4530369
Name:
N-[4-(diethylamino)phenyl]-2-phenyl-pyrazole-3-carboxamideMol. Formula:
C20H22N4OM.W.:
334.42Type:
UnknownAlogP:
3.97Polar Surface Area:
50.16HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
4.81Polar Surface Area:
43.95HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
4.38Polar Surface Area:
63.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
3.89Polar Surface Area:
43.95HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
3.79Polar Surface Area:
96.17HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA4455490
Name:
N-[4-(diethylamino)phenyl]-5-phenyl-3-propyl-triazole-4-carboxamideMol. Formula:
C22H27N5OM.W.:
377.49Type:
UnknownAlogP:
4.45Polar Surface Area:
63.05HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4452131
Name:
N-(4-benzyloxyphenyl)-5-methyl-3-phenyl-isoxazole-4-carboxamideMol. Formula:
C24H20N2O3M.W.:
384.44Type:
UnknownAlogP:
5.48Polar Surface Area:
64.36HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4439698
Name:
5-(diethylamino)-2-[(5-methyl-3-phenyl-isoxazol-4-yl)iminomethyl]phenolMol. Formula:
C21H23N3O2M.W.:
349.43Type:
UnknownAlogP:
4.95Polar Surface Area:
61.86HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA2316315
Name:
N-(4'-Pyrazinimidoylamino-biphenyl-4-yl)-pyrazine-2-carboxamidineMol. Formula:
C22H18N8M.W.:
394.44Type:
Small moleculeAlogP:
3.81Polar Surface Area:
123.32HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA2311587
Name:
N-(4'-Isonicotinimidoylamino-biphenyl-4-yl)-isonicotinamidineMol. Formula:
C24H20N6M.W.:
392.47Type:
Small moleculeAlogP:
5.02Polar Surface Area:
97.54HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
1.40Polar Surface Area:
104.02HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS
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