Type:
---AlogP:
1.12Polar Surface Area:
78.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
---AlogP:
2.55Polar Surface Area:
78.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
---AlogP:
3.67Polar Surface Area:
108.06HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
---AlogP:
2.61Polar Surface Area:
78.84HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
---AlogP:
2.73Polar Surface Area:
105.14HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS-
Type:
---AlogP:
0.67Polar Surface Area:
78.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
---AlogP:
-1.21Polar Surface Area:
53.16HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.41DETAILS -
Type:
---AlogP:
2.69Polar Surface Area:
78.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
---AlogP:
3.00Polar Surface Area:
61.77HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
---AlogP:
1.93Polar Surface Area:
78.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
---AlogP:
2.44Polar Surface Area:
78.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA4756141
Name:
4-(6-ethynyl-9H-purin-2-ylamino)-N-methylbenzamideMol. Formula:
C15H12N6OM.W.:
292.30Type:
UnknownAlogP:
1.44Polar Surface Area:
95.59HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
UnknownAlogP:
2.21Polar Surface Area:
83.56HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
UnknownAlogP:
1.11Polar Surface Area:
109.58HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
UnknownAlogP:
1.78Polar Surface Area:
86.80HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
-1.54Polar Surface Area:
78.51HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
---AlogP:
3.47Polar Surface Area:
78.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
3.85Polar Surface Area:
78.84HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
---AlogP:
-0.87Polar Surface Area:
44.37HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.50DETAILS -
Type:
---AlogP:
1.65Polar Surface Area:
78.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS
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