Type:
---AlogP:
3.53Polar Surface Area:
126.57HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
---AlogP:
9.68Polar Surface Area:
119.05HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.09DETAILS
Type:
---AlogP:
3.42Polar Surface Area:
99.18HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA5279138Name:
4-(2,4-difluorophenyl)-1-((phenylthio)methyl)-1H-1,2,3-triazoleMol. Formula:
C15H11F2N3SM.W.:
303.34Type:
---AlogP:
3.97Polar Surface Area:
30.71HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
---AlogP:
6.01Polar Surface Area:
96.73HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.17DETAILS-
Type:
---AlogP:
2.35Polar Surface Area:
115.97HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
---AlogP:
3.94Polar Surface Area:
106.34HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
---AlogP:
4.53Polar Surface Area:
146.54HBA:
5HBD:
5#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
---AlogP:
3.42Polar Surface Area:
50.94HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
---AlogP:
2.41Polar Surface Area:
155.49HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
---AlogP:
4.43Polar Surface Area:
169.08HBA:
7HBD:
5#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
---AlogP:
4.22Polar Surface Area:
106.34HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
---AlogP:
-0.80Polar Surface Area:
120.86HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
---AlogP:
-1.35Polar Surface Area:
141.09HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5198115
Name:
5-bromo-2',4',5'-triphenyl-2',4'-dihydrospiro[indoline-3,3'-pyrazol]-2-oneMol. Formula:
C28H20BrN3OM.W.:
494.39Type:
---AlogP:
6.30Polar Surface Area:
44.70HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
6.47Polar Surface Area:
95.44HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
---AlogP:
6.12Polar Surface Area:
95.44HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
---AlogP:
5.83Polar Surface Area:
115.67HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
---AlogP:
5.25Polar Surface Area:
133.77HBA:
10HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
---AlogP:
6.72Polar Surface Area:
107.47HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.15DETAILS
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