Type:
Small moleculeAlogP:
3.51Polar Surface Area:
79.79HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
4.23Polar Surface Area:
75.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
Small moleculeAlogP:
3.93Polar Surface Area:
82.93HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS
ERK Inhibitor II, Negative ControlName:
ERK_Inhibitor_II_Negative_controlMol. Formula:
C18H12N6OM.W.:
328.34Type:
Small moleculeAlogP:
3.04Polar Surface Area:
91.99HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
4.31Polar Surface Area:
90.03HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS-
Type:
Small moleculeAlogP:
5.03Polar Surface Area:
37.39HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
1.95Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
4.85Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
1.11Polar Surface Area:
96.60HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
Small moleculeAlogP:
5.48Polar Surface Area:
81.71HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
3.57Polar Surface Area:
57.78HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
4.15Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
3.55Polar Surface Area:
43.60HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.88Polar Surface Area:
67.81HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
3.14Polar Surface Area:
36.74HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.43DETAILS
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