Type:
---AlogP:
0.79Polar Surface Area:
132.12HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
---AlogP:
4.56Polar Surface Area:
68.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
Small moleculeAlogP:
-0.24Polar Surface Area:
190.28HBA:
11HBD:
7#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.26DETAILS
ALA4550704Name:
Apigenin 7-O-alpha-L-rhamnosideCas Number:
88109-95-9Mol. Formula:
C21H20O9M.W.:
416.38Type:
UnknownAlogP:
1.08Polar Surface Area:
149.82HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
UnknownAlogP:
3.74Polar Surface Area:
82.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS-
Type:
UnknownAlogP:
1.92Polar Surface Area:
98.98HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
1.66Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
1.82Polar Surface Area:
132.12HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
UnknownAlogP:
1.21Polar Surface Area:
50.44HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
2.85Polar Surface Area:
117.12HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
UnknownAlogP:
3.62Polar Surface Area:
115.06HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA4795966
Name:
N-(4-(2,4-dihydroxyphenyl)thiazol-2-yl)benzamideMol. Formula:
C16H12N2O3SM.W.:
312.35Type:
UnknownAlogP:
3.47Polar Surface Area:
82.45HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
1.27Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.72DETAILS -
Type:
UnknownAlogP:
1.20Polar Surface Area:
117.00HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
2.68Polar Surface Area:
71.06HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
2.97Polar Surface Area:
102.68HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
2.37Polar Surface Area:
90.90HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
2.75Polar Surface Area:
94.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.49DETAILS
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