Type:
Small moleculeAlogP:
3.59Polar Surface Area:
113.23HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
4.19Polar Surface Area:
107.44HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
Small moleculeAlogP:
4.07Polar Surface Area:
96.16HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
4.56Polar Surface Area:
70.14HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
Small moleculeAlogP:
3.89Polar Surface Area:
83.03HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS-
Type:
Small moleculeAlogP:
3.89Polar Surface Area:
83.03HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
5.93Polar Surface Area:
107.44HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA4226087
Name:
rac-2-Amino-7-octyl-3-((tetrahydrofuran-2-yl)methyl)quinazolin-4(3H)-oneMol. Formula:
C27H35N3O2M.W.:
433.60Type:
Small moleculeAlogP:
5.73Polar Surface Area:
70.14HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
2.45Polar Surface Area:
107.44HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
70.14HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.19Polar Surface Area:
107.44HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.19Polar Surface Area:
107.44HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
6.85Polar Surface Area:
90.90HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
5.78Polar Surface Area:
94.14HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
7.23Polar Surface Area:
90.90HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
4.01Polar Surface Area:
116.92HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
5.15Polar Surface Area:
94.14HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
5.05Polar Surface Area:
102.93HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
5.44Polar Surface Area:
94.14HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
5.93Polar Surface Area:
94.14HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.18DETAILS
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