Type:
UnknownAlogP:
-0.01Polar Surface Area:
101.29HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
UnknownAlogP:
1.50Polar Surface Area:
72.19HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS
ALA4521230Name:
3-(3-amino-4-oxo-quinazolin-2-yl)propanoic acidMol. Formula:
C11H11N3O3M.W.:
233.23Type:
UnknownAlogP:
0.13Polar Surface Area:
98.21HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA4559690Name:
2-(isopropylthio)-3-methylnaphthalene-1,4-dioneCas Number:
66137-78-8Mol. Formula:
C14H14O2SM.W.:
246.33Type:
UnknownAlogP:
3.48Polar Surface Area:
34.14HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
UnknownAlogP:
2.72Polar Surface Area:
86.88HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS- ALA4787266
Name:
N-(3-(6-nitro-1H-indazol-3-yl)phenyl)acrylamideMol. Formula:
C16H12N4O3M.W.:
308.30Type:
UnknownAlogP:
3.26Polar Surface Area:
100.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
---AlogP:
4.58Polar Surface Area:
91.93HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
5.08Polar Surface Area:
76.14HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
---AlogP:
4.34Polar Surface Area:
76.14HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
---AlogP:
4.11Polar Surface Area:
85.37HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
---AlogP:
4.08Polar Surface Area:
94.60HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
---AlogP:
2.83Polar Surface Area:
76.14HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
---AlogP:
4.06Polar Surface Area:
76.14HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
---AlogP:
3.51Polar Surface Area:
76.14HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
---AlogP:
2.28Polar Surface Area:
76.58HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
UnknownAlogP:
3.66Polar Surface Area:
57.78HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
4.24Polar Surface Area:
76.14HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
---AlogP:
4.34Polar Surface Area:
76.14HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
---AlogP:
1.90Polar Surface Area:
85.37HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
---AlogP:
6.10Polar Surface Area:
76.14HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS
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