Type:
UnknownAlogP:
3.29Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
UnknownAlogP:
2.99Polar Surface Area:
74.60HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
UnknownAlogP:
3.42Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
UnknownAlogP:
3.30Polar Surface Area:
72.83HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
UnknownAlogP:
3.00Polar Surface Area:
83.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS- ALA4641516
Name:
4-(3-oxo-3-p-tolylprop-1-enyl)benzoic acidCas Number:
525597-00-6Mol. Formula:
C17H14O3M.W.:
266.30Type:
UnknownAlogP:
3.59Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
3.29Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4638843
Name:
4-(3-(4-bromophenyl)-3-oxoprop-1-enyl)benzoic acidCas Number:
1644526-89-5Mol. Formula:
C16H11BrO3M.W.:
331.17Type:
UnknownAlogP:
4.04Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4638054
Name:
4-(3-(3-nitrophenyl)-3-oxoprop-1-enyl)benzoic acidCas Number:
2517583-97-8Mol. Formula:
C16H11NO5M.W.:
297.27Type:
UnknownAlogP:
3.19Polar Surface Area:
97.51HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
4.43Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
2.61Polar Surface Area:
92.70HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
UnknownAlogP:
1.93Polar Surface Area:
72.19HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
UnknownAlogP:
3.29Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.86Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
3.99Polar Surface Area:
67.77HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
105.67HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
6.73Polar Surface Area:
92.51HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
5.06Polar Surface Area:
93.79HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
7.04Polar Surface Area:
96.87HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
7.39Polar Surface Area:
96.87HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.14DETAILS
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