Type:
---AlogP:
5.38Polar Surface Area:
59.25HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA3760002Name:
6,7-dihydroxy-3-(4-methylphenyl)-2H-chromen-2-oneMol. Formula:
C16H12O4M.W.:
268.27Type:
Small moleculeAlogP:
3.18Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
2.39Polar Surface Area:
94.92HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
Small moleculeAlogP:
4.63Polar Surface Area:
69.73HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
Small moleculeAlogP:
3.95Polar Surface Area:
69.73HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.31DETAILS-
Type:
Small moleculeAlogP:
2.43Polar Surface Area:
70.23HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
3.25Polar Surface Area:
67.21HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
3.23Polar Surface Area:
39.52HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
2.98Polar Surface Area:
39.52HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
48.53HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
2.50Polar Surface Area:
37.49HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
1.55Polar Surface Area:
37.49HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
1.24Polar Surface Area:
37.49HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
1.83Polar Surface Area:
39.52HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
0.87Polar Surface Area:
39.52HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
0.56Polar Surface Area:
39.52HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.35Polar Surface Area:
39.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
2.39Polar Surface Area:
39.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.08Polar Surface Area:
39.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.53DETAILS - ALA3758686
Name:
4-Chloromethyl-6-tert-butyl-2H-chromene-2-oneCas Number:
41295-61-8Mol. Formula:
C14H15ClO2M.W.:
250.72Type:
Small moleculeAlogP:
3.83Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.57DETAILS
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