ALA4217676Name:
4-((2-Methylbenzyl)oxy)-N-(pyridin-3-yl)benzo[d]isoxazol-3-amineMol. Formula:
C20H17N3O2M.W.:
331.38Type:
Small moleculeAlogP:
4.85Polar Surface Area:
60.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA4217259Name:
4-(Benzyloxy)-N-(pyridin-3-yl)benzo[d]isothiazol-3-amineMol. Formula:
C19H15N3OSM.W.:
333.42Type:
Small moleculeAlogP:
5.01Polar Surface Area:
47.04HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA4212291Name:
4-(Benzyloxy)-N-(pyridin-3-yl)benzo[d]isoxazol-3-amineMol. Formula:
C19H15N3O2M.W.:
317.35Type:
Small moleculeAlogP:
4.55Polar Surface Area:
60.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA4207927Name:
4-(Benzyloxy)-N-(pyridin-3-yl)-1H-indazol-3-amineMol. Formula:
C19H16N4OM.W.:
316.36Type:
Small moleculeAlogP:
4.28Polar Surface Area:
62.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA4207322Name:
4-((4-Methylbenzyl)oxy)-N-(pyridin-3-yl)benzo[d]isoxazol-3-amineMol. Formula:
C20H17N3O2M.W.:
331.38Type:
Small moleculeAlogP:
4.85Polar Surface Area:
60.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS- ALA4205965
Name:
4-((3-Methylbenzyl)oxy)-N-(pyridin-3-yl)benzo[d]isoxazol-3-amineMol. Formula:
C20H17N3O2M.W.:
331.38Type:
Small moleculeAlogP:
4.85Polar Surface Area:
60.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
3.91Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4202436
Name:
4-((2,6-Dimethylbenzyl)oxy)-N-(pyridin-3-yl)benzo[d]isoxazol-3-amineMol. Formula:
C21H19N3O2M.W.:
345.40Type:
Small moleculeAlogP:
5.16Polar Surface Area:
60.18HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
7.49Polar Surface Area:
64.43HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
7.41Polar Surface Area:
81.08HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA3613996
Name:
N-(4-Fluoro-2-methoxyphenyl)-2-(4-(N-phenethylsulfamoyl)phenoxy)acetamideMol. Formula:
C23H23FN2O5SM.W.:
458.51Type:
Small moleculeAlogP:
3.37Polar Surface Area:
93.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA3613995
Name:
N-(3-Methoxyphenyl)-2-(4-(N-phenethylsulfamoyl)phenoxy)acetamideMol. Formula:
C23H24N2O5SM.W.:
440.52Type:
Small moleculeAlogP:
3.23Polar Surface Area:
93.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA3613994
Name:
2-(4-(N-Phenethylsulfamoyl)phenoxy)-N-(2-(trifluoromethoxy)phenyl)acetamideMol. Formula:
C23H21F3N2O5SM.W.:
494.49Type:
Small moleculeAlogP:
4.12Polar Surface Area:
93.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA3613993
Name:
N-(2-Cyanophenyl)-2-(4-(N-phenethylsulfamoyl)phenoxy)acetamideMol. Formula:
C23H21N3O4SM.W.:
435.51Type:
Small moleculeAlogP:
3.10Polar Surface Area:
108.29HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA3613992
Name:
N-(2-Nitrophenyl)-2-(4-(N-phenethylsulfamoyl)phenoxy)acetamideMol. Formula:
C22H21N3O6SM.W.:
455.49Type:
Small moleculeAlogP:
3.13Polar Surface Area:
127.64HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA3613991
Name:
2-(4-(N-Phenethylsulfamoyl)phenoxy)-N-(o-tolyl)acetamideMol. Formula:
C23H24N2O4SM.W.:
424.52Type:
Small moleculeAlogP:
3.53Polar Surface Area:
84.50HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA3613990
Name:
N-(2-Methoxyphenyl)-2-(4-(N-phenethylsulfamoyl)phenoxy)acetamideMol. Formula:
C23H24N2O5SM.W.:
440.52Type:
Small moleculeAlogP:
3.23Polar Surface Area:
93.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA3613989
Name:
N-(4-Methoxyphenyl)-2-(4-(N-phenethylsulfamoyl)phenoxy)acetamideMol. Formula:
C23H24N2O5SM.W.:
440.52Type:
Small moleculeAlogP:
3.23Polar Surface Area:
93.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA3613988
Name:
N-(4-Fluorophenyl)-2-(4-(N-phenethylsulfamoyl)phenoxy)acetamideMol. Formula:
C22H21FN2O4SM.W.:
428.49Type:
Small moleculeAlogP:
3.36Polar Surface Area:
84.50HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA3613987
Name:
N-(4-Chlorophenyl)-2-(4-(N-phenethylsulfamoyl)phenoxy)acetamideMol. Formula:
C22H21ClN2O4SM.W.:
444.94Type:
Small moleculeAlogP:
3.88Polar Surface Area:
84.50HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.52DETAILS
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