Type:
---AlogP:
4.30Polar Surface Area:
31.23HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
Small moleculeAlogP:
3.07Polar Surface Area:
113.96HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA1669288Name:
1-(4-hydroxy-2,3-dimethylphenyl)propan-1-oneCas Number:
5355-81-7Mol. Formula:
C11H14O2M.W.:
178.23Type:
Small moleculeAlogP:
2.60Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.71DETAILS
ALA1669287Name:
1-(4-hydroxy-2-methylphenyl)propan-1-oneCas Number:
2887-55-0Mol. Formula:
C10H12O2M.W.:
164.20Type:
Small moleculeAlogP:
2.29Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.68DETAILS
Type:
Small moleculeAlogP:
2.53Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS-
Type:
Small moleculeAlogP:
3.23Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA1669285
Name:
ethyl 2-(2,3-dimethyl-4-propionylphenoxy)acetateMol. Formula:
C15H20O4M.W.:
264.32Type:
Small moleculeAlogP:
2.84Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
2.75Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
2.36Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS
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