ALA5271498Name:
(R)-1-Amino-3-(diphenylamino)propan-2-ol AcetateMol. Formula:
C17H22N2O3M.W.:
302.37Type:
---AlogP:
2.14Polar Surface Area:
49.49HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA5269590Name:
1-(2-nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanoneMol. Formula:
C16H14N2O3M.W.:
282.30Type:
---AlogP:
3.38Polar Surface Area:
63.45HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
---AlogP:
1.94Polar Surface Area:
63.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS
ALA5268310Name:
(3-((1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)methanamineMol. Formula:
C12H15N3OM.W.:
217.27Type:
---AlogP:
1.40Polar Surface Area:
53.07HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA5278964Name:
(S)-1-Amino-3-(diphenylamino)propan-2-ol AcetateMol. Formula:
C17H22N2O3M.W.:
302.37Type:
---AlogP:
2.14Polar Surface Area:
49.49HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS- ALA5274402
Name:
rac-1-Amino-3-(diphenylamino)propan-2-ol AcetateMol. Formula:
C17H22N2O3M.W.:
302.37Type:
---AlogP:
2.14Polar Surface Area:
49.49HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
---AlogP:
3.34Polar Surface Area:
105.17HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
---AlogP:
5.27Polar Surface Area:
71.84HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
---AlogP:
3.39Polar Surface Area:
119.82HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA5219645
Name:
5-((1H-benzo[d]imidazol-2-yl)amino)-2-hydroxybenzoic acidMol. Formula:
C14H11N3O3M.W.:
269.26Type:
---AlogP:
2.71Polar Surface Area:
98.24HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
---AlogP:
3.79Polar Surface Area:
69.64HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
---AlogP:
3.55Polar Surface Area:
111.01HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA5219374
Name:
1-(4-(2-butyl-2H-tetrazol-5-yl)phenyl)-3-(2-(trifluoromethyl)phenyl)ureaMol. Formula:
C19H19F3N6OM.W.:
404.40Type:
---AlogP:
4.80Polar Surface Area:
84.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
---AlogP:
4.22Polar Surface Area:
127.58HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA5221003
Name:
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
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