Type:
---AlogP:
2.20Polar Surface Area:
108.31HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
---AlogP:
0.18Polar Surface Area:
169.78HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
---AlogP:
-0.03Polar Surface Area:
163.94HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
---AlogP:
3.76Polar Surface Area:
144.66HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
---AlogP:
0.18Polar Surface Area:
169.78HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS-
Type:
UnknownAlogP:
2.38Polar Surface Area:
138.54HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
2.35Polar Surface Area:
110.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
1.15Polar Surface Area:
117.17HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
1.80Polar Surface Area:
107.94HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
1.15Polar Surface Area:
107.94HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
1.45Polar Surface Area:
107.94HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
1.28Polar Surface Area:
107.94HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3910545
Name:
4-(1H-tetrazol-5-yl)benzaldehydeCas Number:
74815-22-8Mol. Formula:
C8H6N4OM.W.:
174.16Type:
Small moleculeAlogP:
0.68Polar Surface Area:
71.53HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
6.37Polar Surface Area:
46.15HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
5.61Polar Surface Area:
46.15HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
8.74Polar Surface Area:
64.61HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
-7.12Polar Surface Area:
89.41HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA369105
Name:
aminocarbonyl dihydrogen phosphateCas Number:
590-55-6Mol. Formula:
CH4NO5PM.W.:
141.02Type:
Small moleculeAlogP:
-0.83Polar Surface Area:
109.85HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.41DETAILS
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