Type:
Small moleculeAlogP:
3.53Polar Surface Area:
78.94HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
3.09Polar Surface Area:
91.41HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
3.93Polar Surface Area:
78.94HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
Small moleculeAlogP:
3.39Polar Surface Area:
78.94HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
Small moleculeAlogP:
4.96Polar Surface Area:
78.94HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.37DETAILS-
Type:
Small moleculeAlogP:
4.71Polar Surface Area:
78.94HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
66.91HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA207520
Name:
N-methyl-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamideMol. Formula:
C17H17N5OSM.W.:
339.42Type:
Small moleculeAlogP:
3.25Polar Surface Area:
78.94HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA379320
Name:
N-methyl-3-((2-(pyridin-2-ylamino)thiazol-5-ylthio)methyl)benzamideMol. Formula:
C17H16N4OS2M.W.:
356.48Type:
Small moleculeAlogP:
3.93Polar Surface Area:
66.91HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA379661
Name:
N-methoxy-3-((2-(pyridin-2-ylamino)thiazol-5-ylthio)methyl)benzamideMol. Formula:
C17H16N4O2S2M.W.:
372.48Type:
Small moleculeAlogP:
3.87Polar Surface Area:
76.14HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
0.90Polar Surface Area:
254.29HBA:
17HBD:
7#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.03DETAILS -
Type:
Small moleculeAlogP:
0.37Polar Surface Area:
192.52HBA:
13HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
1.78Polar Surface Area:
306.45HBA:
20HBD:
8#RO5 Violations:
3#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.01DETAILS -
Type:
Small moleculeAlogP:
1.25Polar Surface Area:
244.68HBA:
16HBD:
6#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
0.52Polar Surface Area:
267.84HBA:
16HBD:
8#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.03DETAILS
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