Type:
Small moleculeAlogP:
4.68Polar Surface Area:
163.98HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.13DETAILS
SR 3576Name:
3-(4-(3-m-tolylureido)-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamideMol. Formula:
C27H27N5O5M.W.:
501.54Type:
Small moleculeAlogP:
5.10Polar Surface Area:
115.74HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS
Type:
Small moleculeAlogP:
3.94Polar Surface Area:
86.52HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS
ALA1233747Name:
3-(4-(3-phenylureido)-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamideMol. Formula:
C26H25N5O5M.W.:
487.52Type:
Small moleculeAlogP:
4.79Polar Surface Area:
115.74HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
Small moleculeAlogP:
3.02Polar Surface Area:
86.10HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS-
Type:
Small moleculeAlogP:
2.30Polar Surface Area:
76.87HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
5.19Polar Surface Area:
73.63HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
2.65Polar Surface Area:
99.65HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
3.62Polar Surface Area:
73.63HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.95Polar Surface Area:
64.84HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
4.68Polar Surface Area:
73.63HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
4.12Polar Surface Area:
99.65HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
3.89Polar Surface Area:
86.52HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
86.10HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA190457
Name:
(2Z)-(2-aminopyrimidin-4-yl)(1,3-benzothiazol-2(3H)-ylidene)acetonitrileMol. Formula:
C13H9N5SM.W.:
267.32Type:
Small moleculeAlogP:
2.47Polar Surface Area:
87.62HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
4.95Polar Surface Area:
78.56HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
2.01Polar Surface Area:
128.09HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
99.65HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA189993
Name:
(2Z)-1,3-benzothiazol-2(3H)-ylidene(pyrimidin-4-yl)acetonitrileMol. Formula:
C13H8N4SM.W.:
252.30Type:
Small moleculeAlogP:
2.89Polar Surface Area:
61.60HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA372035
Name:
[3H-Benzothiazol-(2Z)-ylidene]-(2-propylamino-pyrimidin-4-yl)-acetonitrileMol. Formula:
C16H15N5SM.W.:
309.40Type:
Small moleculeAlogP:
3.71Polar Surface Area:
73.63HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
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