Type:
UnknownAlogP:
6.96Polar Surface Area:
70.15HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
Small moleculeAlogP:
5.58Polar Surface Area:
84.99HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
Small moleculeAlogP:
5.58Polar Surface Area:
84.99HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
Small moleculeAlogP:
5.58Polar Surface Area:
84.99HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
Small moleculeAlogP:
-0.82Polar Surface Area:
117.42HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS-
Type:
Small moleculeAlogP:
-0.57Polar Surface Area:
117.42HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
-0.26Polar Surface Area:
117.42HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
-0.65Polar Surface Area:
117.42HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
-0.48Polar Surface Area:
117.42HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
5.01Polar Surface Area:
88.89HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
5.27Polar Surface Area:
54.70HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
4.62Polar Surface Area:
54.70HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
28.68HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
3.67Polar Surface Area:
87.15HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA1798026
Name:
1-(2-(4-Butylphenyl)-4-methylthiazol-5-yl)ethanoneMol. Formula:
C16H19NOSM.W.:
273.40Type:
Small moleculeAlogP:
4.66Polar Surface Area:
29.96HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
4.96Polar Surface Area:
29.96HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
4.16Polar Surface Area:
50.19HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
Small moleculeAlogP:
5.54Polar Surface Area:
39.19HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
5.69Polar Surface Area:
39.19HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
5.40Polar Surface Area:
39.19HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS
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