Type:
---AlogP:
4.22Polar Surface Area:
127.58HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS
ALA5221003Name:
2-((5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoic acidMol. Formula:
C16H11N3O4SM.W.:
341.35Type:
---AlogP:
2.86Polar Surface Area:
112.41HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
---AlogP:
2.43Polar Surface Area:
119.82HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS
Type:
---AlogP:
3.16Polar Surface Area:
69.64HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
---AlogP:
4.59Polar Surface Area:
92.55HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS- ALA5220798
Name:
1-(3-fluorophenyl)-3-(4-(4-isobutyl-1H-1,2,3-triazol-1-yl)phenyl)ureaMol. Formula:
C19H20FN5OM.W.:
353.40Type:
---AlogP:
4.25Polar Surface Area:
71.84HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
3.22Polar Surface Area:
95.42HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
5.48Polar Surface Area:
82.70HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
---AlogP:
3.76Polar Surface Area:
69.64HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA5220580
Name:
methyl 2-((5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoateMol. Formula:
C18H15N3O4SM.W.:
369.40Type:
---AlogP:
3.25Polar Surface Area:
90.41HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
---AlogP:
2.68Polar Surface Area:
128.69HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
---AlogP:
4.63Polar Surface Area:
116.22HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA5220534
Name:
1-(4-(4-butyl-1H-1,2,3-triazol-1-yl)phenyl)-3-(6-methylpyridin-3-yl)ureaMol. Formula:
C19H22N6OM.W.:
350.43Type:
---AlogP:
3.96Polar Surface Area:
84.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
---AlogP:
3.90Polar Surface Area:
69.64HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA5220524
Name:
1-(4-(4-butyl-1H-1,2,3-triazol-1-yl)phenyl)-3-(2-fluorophenyl)ureaMol. Formula:
C19H20FN5OM.W.:
353.40Type:
---AlogP:
4.39Polar Surface Area:
71.84HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA5220478
Name:
2-((5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoic acidMol. Formula:
C16H10N4O5SM.W.:
370.35Type:
---AlogP:
3.06Polar Surface Area:
135.32HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
---AlogP:
3.76Polar Surface Area:
69.64HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5220394
Name:
ethyl 2-((5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl)carbamoyl)benzoateMol. Formula:
C19H17N3O4SM.W.:
383.43Type:
---AlogP:
3.64Polar Surface Area:
90.41HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
---AlogP:
4.76Polar Surface Area:
116.22HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
---AlogP:
3.44Polar Surface Area:
110.59HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS
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