Type:
---AlogP:
4.41Polar Surface Area:
238.07HBA:
15HBD:
4#RO5 Violations:
2#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.07DETAILS
ALA5278077Name:
4-((5-fluoro-4-(phenylamino)pyrimidin-2-yl)amino)benzamideMol. Formula:
C17H14FN5OM.W.:
323.33Type:
---AlogP:
3.20Polar Surface Area:
92.93HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
---AlogP:
5.71Polar Surface Area:
126.69HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
Small moleculeAlogP:
3.99Polar Surface Area:
101.56HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA5289096Name:
4-(4-methylthiophen-2-yl)-N-(4-(quinolin-4-yloxy)phenyl)phthalazin-1-amineMol. Formula:
C28H20N4OSM.W.:
460.56Type:
---AlogP:
7.75Polar Surface Area:
59.93HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS-
Type:
---AlogP:
3.61Polar Surface Area:
48.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
---AlogP:
2.64Polar Surface Area:
88.49HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
---AlogP:
3.07Polar Surface Area:
88.49HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
---AlogP:
2.61Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
---AlogP:
1.89Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.71DETAILS -
Type:
---AlogP:
2.89Polar Surface Area:
77.63HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
3.68Polar Surface Area:
105.31HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5093039
Name:
1-(4-{[(7-Ethoxy-6-fluoroquinazolin-4-yl)amino]methyl}phenyl)-3-phenylureaMol. Formula:
C24H22FN5O2M.W.:
431.47Type:
UnknownAlogP:
5.42Polar Surface Area:
88.17HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
6.26Polar Surface Area:
88.17HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
3.12Polar Surface Area:
105.31HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
7.14Polar Surface Area:
88.17HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA5090070
Name:
1-phenyl-3-(5-(2-(quinazolin-4-ylamino)ethyl)thiazol-2-yl)ureaMol. Formula:
C20H18N6OSM.W.:
390.47Type:
UnknownAlogP:
4.38Polar Surface Area:
91.83HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
2.72Polar Surface Area:
105.31HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
6.12Polar Surface Area:
88.17HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
UnknownAlogP:
4.03Polar Surface Area:
105.31HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS
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