Type:
---AlogP:
3.61Polar Surface Area:
127.17HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
---AlogP:
3.96Polar Surface Area:
142.96HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
---AlogP:
3.06Polar Surface Area:
153.19HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
---AlogP:
3.92Polar Surface Area:
138.17HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
---AlogP:
3.43Polar Surface Area:
121.10HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS-
Type:
---AlogP:
4.46Polar Surface Area:
100.87HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
---AlogP:
3.39Polar Surface Area:
138.17HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
---AlogP:
3.48Polar Surface Area:
127.17HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
---AlogP:
2.89Polar Surface Area:
167.63HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
---AlogP:
3.18Polar Surface Area:
147.40HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
---AlogP:
4.00Polar Surface Area:
127.17HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
---AlogP:
3.67Polar Surface Area:
127.17HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4876915
Name:
2-phenyl-5-((1-phenyl-1H-1,2,3-triazol-4-yl)methylthio)-1,3,4-oxadiazoleMol. Formula:
C17H13N5OSM.W.:
335.39Type:
UnknownAlogP:
3.61Polar Surface Area:
69.63HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
UnknownAlogP:
2.26Polar Surface Area:
106.42HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
UnknownAlogP:
1.16Polar Surface Area:
196.29HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
-3.21Polar Surface Area:
384.87HBA:
14HBD:
13#RO5 Violations:
3#Rotatable Bonds:
28Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
Small moleculeAlogP:
-5.07Polar Surface Area:
441.57HBA:
15HBD:
17#RO5 Violations:
3#Rotatable Bonds:
31Passes Ro3:
NQED Weighted:
0.01DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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