Type:
---AlogP:
5.02Polar Surface Area:
115.88HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
---AlogP:
9.62Polar Surface Area:
265.27HBA:
14HBD:
7#RO5 Violations:
4#Rotatable Bonds:
42Passes Ro3:
NQED Weighted:
0.02DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
5.02Polar Surface Area:
115.88HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
---AlogP:
3.63Polar Surface Area:
169.05HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.10DETAILS-
Type:
---AlogP:
6.21Polar Surface Area:
148.07HBA:
9HBD:
3#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
---AlogP:
3.38Polar Surface Area:
265.27HBA:
14HBD:
7#RO5 Violations:
3#Rotatable Bonds:
26Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
---AlogP:
3.01Polar Surface Area:
71.60HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
---AlogP:
4.64Polar Surface Area:
86.19HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
---AlogP:
9.87Polar Surface Area:
169.05HBA:
10HBD:
4#RO5 Violations:
2#Rotatable Bonds:
39Passes Ro3:
NQED Weighted:
0.03DETAILS - ALA5198734
Name:
(S)-2-(6-((Tetrahydroselenophen-3-yl)amino)-9H-purin-2-yl)-isoindolin-1-oneMol. Formula:
C17H16N6OSeM.W.:
399.32Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
2.69Polar Surface Area:
90.46HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
9.94Polar Surface Area:
133.72HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
---AlogP:
3.32Polar Surface Area:
99.69HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
---AlogP:
2.36Polar Surface Area:
81.59HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
---AlogP:
1.95Polar Surface Area:
93.70HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
9.71Polar Surface Area:
133.72HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
---AlogP:
5.84Polar Surface Area:
152.18HBA:
12HBD:
3#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.08DETAILS
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