ALA5281274Name:
4-((6-(4-(tert-butyl)benzamido)-1H-indol-1-yl)methyl)-3-methoxybenzoic acidMol. Formula:
C28H28N2O4M.W.:
456.54Type:
---AlogP:
5.95Polar Surface Area:
80.56HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
---AlogP:
3.48Polar Surface Area:
107.55HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS
ALA5273108Name:
4-((6-(4-(tert-butyl)benzamido)-1H-indol-1-yl)methyl)benzoic acidMol. Formula:
C27H26N2O3M.W.:
426.52Type:
---AlogP:
5.94Polar Surface Area:
71.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
3.28Polar Surface Area:
70.67HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
---AlogP:
3.92Polar Surface Area:
70.67HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS-
Type:
---AlogP:
8.18Polar Surface Area:
95.59HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
---AlogP:
5.32Polar Surface Area:
98.82HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA5206374
Name:
N-(4-chlorophenyl)-4-(3-(4-chlorophenyl)ureido)-3-methylbenzamideMol. Formula:
C21H17Cl2N3O2M.W.:
414.29Type:
---AlogP:
6.20Polar Surface Area:
70.23HBA:
2HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
---AlogP:
5.58Polar Surface Area:
81.67HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
---AlogP:
6.28Polar Surface Area:
95.59HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
---AlogP:
6.31Polar Surface Area:
73.91HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
---AlogP:
5.57Polar Surface Area:
77.57HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
---AlogP:
5.45Polar Surface Area:
90.98HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
---AlogP:
4.01Polar Surface Area:
70.67HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
---AlogP:
4.35Polar Surface Area:
61.44HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
---AlogP:
2.63Polar Surface Area:
81.67HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
6.22Polar Surface Area:
81.75HBA:
3HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
---AlogP:
6.64Polar Surface Area:
64.68HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
---AlogP:
4.81Polar Surface Area:
86.80HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
---AlogP:
6.67Polar Surface Area:
95.59HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.25DETAILS
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