Type:
Small moleculeAlogP:
6.75Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
Small moleculeAlogP:
6.49Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
Small moleculeAlogP:
6.35Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
Small moleculeAlogP:
5.96Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS
ALA2323724Name:
(Z)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-oneMol. Formula:
C21H24O6M.W.:
372.42Type:
Small moleculeAlogP:
3.69Polar Surface Area:
96.22HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.46DETAILS- ALA2323722
Name:
(Z)-1,7-Bis(2-fluoro-4-hydroxyphenyl)-5-hydroxyhept-4-en-3-oneMol. Formula:
C19H18F2O4M.W.:
348.35Type:
Small moleculeAlogP:
3.95Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.11Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA2323720
Name:
(Z)-1,7-Bis(3-fluoro-4-hydroxy-5-methoxyphenyl)-5-hydroxyhept-4-en-3-oneMol. Formula:
C21H22F2O6M.W.:
408.40Type:
Small moleculeAlogP:
3.97Polar Surface Area:
96.22HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
4.13Polar Surface Area:
96.22HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS
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