Type:
---AlogP:
10.43Polar Surface Area:
220.76HBA:
12HBD:
10#RO5 Violations:
4#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.08DETAILS
Type:
Small moleculeAlogP:
-1.66Polar Surface Area:
147.90HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
UnknownAlogP:
1.62Polar Surface Area:
99.84HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
UnknownAlogP:
-0.21Polar Surface Area:
115.22HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
UnknownAlogP:
-1.01Polar Surface Area:
124.45HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS-
Type:
---AlogP:
1.55Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.62DETAILS -
Type:
---AlogP:
3.14Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
8.02Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
---AlogP:
3.56Polar Surface Area:
51.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
---AlogP:
3.34Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
2.87Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
---AlogP:
2.83Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.71DETAILS - ALA5201580
Name:
(E)-6-Benzyl-1-hydroxy-4-styrylpyridin-2(1H)-oneMol. Formula:
C20H17NO2M.W.:
303.36Type:
---AlogP:
3.85Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
---AlogP:
2.08Polar Surface Area:
76.13HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
---AlogP:
2.13Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.69DETAILS -
Type:
---AlogP:
2.52Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.78DETAILS -
Type:
---AlogP:
3.88Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
---AlogP:
1.29Polar Surface Area:
51.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
---AlogP:
1.68Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS -
Type:
---AlogP:
4.18Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS
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