Type:
Small moleculeAlogP:
1.94Polar Surface Area:
127.95HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
Small moleculeAlogP:
1.64Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
Small moleculeAlogP:
1.98Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
Small moleculeAlogP:
3.93Polar Surface Area:
68.29HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
Small moleculeAlogP:
4.23Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS- ALA138934
Name:
4-(3-Nitro-phenyl)-4-oxo-butyric acidCas Number:
6328-00-3Mol. Formula:
C10H9NO5M.W.:
223.18Type:
Small moleculeAlogP:
1.64Polar Surface Area:
97.51HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
4.64Polar Surface Area:
102.20HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.79Polar Surface Area:
77.52HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
4.35Polar Surface Area:
85.08HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
5.23Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.93Polar Surface Area:
79.29HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA139909
Name:
2-Amino-4-(3,4-dichloro-phenyl)-4-oxo-butyric acidMol. Formula:
C10H9Cl2NO3M.W.:
262.09Type:
Small moleculeAlogP:
1.98Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
4.83Polar Surface Area:
102.20HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
3.83Polar Surface Area:
102.20HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.52Polar Surface Area:
102.20HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
4.17Polar Surface Area:
102.20HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
3.53Polar Surface Area:
111.43HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
3.54Polar Surface Area:
120.66HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
3.10Polar Surface Area:
128.22HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
4.57Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS
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