ALA5271950Name:
N1-[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-2-pyridyl]benzene-1,4-diamineMol. Formula:
C20H16FN5M.W.:
345.38Type:
---AlogP:
4.60Polar Surface Area:
79.62HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
---AlogP:
4.24Polar Surface Area:
115.50HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
---AlogP:
4.07Polar Surface Area:
86.63HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA5269500Name:
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidineMol. Formula:
C13H9ClN4M.W.:
256.70Type:
---AlogP:
3.19Polar Surface Area:
54.46HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
---AlogP:
5.20Polar Surface Area:
102.34HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS-
Type:
---AlogP:
4.45Polar Surface Area:
66.49HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
---AlogP:
4.39Polar Surface Area:
106.27HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
---AlogP:
5.25Polar Surface Area:
98.43HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
8.81Polar Surface Area:
153.65HBA:
9HBD:
6#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
---AlogP:
4.97Polar Surface Area:
109.07HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
---AlogP:
5.00Polar Surface Area:
106.27HBA:
10HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
9.53Polar Surface Area:
153.65HBA:
10HBD:
6#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
---AlogP:
5.29Polar Surface Area:
107.73HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
---AlogP:
5.35Polar Surface Area:
106.27HBA:
10HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
---AlogP:
5.61Polar Surface Area:
89.20HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
---AlogP:
6.13Polar Surface Area:
110.84HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
---AlogP:
7.57Polar Surface Area:
114.08HBA:
10HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
---AlogP:
7.05Polar Surface Area:
110.84HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
---AlogP:
7.47Polar Surface Area:
118.60HBA:
8HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
---AlogP:
6.05Polar Surface Area:
104.85HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS
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