ALA4104290Name:
N-(2-methoxyphenyl)-2-morpholino-6-((4-nitrophenyl)thio)benzamideMol. Formula:
C24H23N3O5SM.W.:
465.53Type:
Small moleculeAlogP:
4.84Polar Surface Area:
93.94HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA4103577Name:
5-Chloro-N-(2-methoxyphenyl)-2-((4-nitrophenyl)thio)benzamideMol. Formula:
C20H15ClN2O4SM.W.:
414.87Type:
Small moleculeAlogP:
5.66Polar Surface Area:
81.47HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
Small moleculeAlogP:
3.90Polar Surface Area:
136.59HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.33DETAILS
ALA4099040Name:
5-Amino-N-(2-methoxyphenyl)-2-((4-nitrophenyl)thio)benzamideMol. Formula:
C20H17N3O4SM.W.:
395.44Type:
Small moleculeAlogP:
4.59Polar Surface Area:
107.49HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA4098335Name:
2-(dimethylamino)-N-(2-methoxyphenyl)-6-((4-nitrophenyl)sulfonyl)benzamideMol. Formula:
C22H21N3O6SM.W.:
455.49Type:
Small moleculeAlogP:
3.75Polar Surface Area:
118.85HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS- ALA4098114
Name:
N-(2-methoxyphenyl)-5-(methylamino)-2-((4-nitrophenyl)thio)benzamideMol. Formula:
C21H19N3O4SM.W.:
409.47Type:
Small moleculeAlogP:
5.05Polar Surface Area:
93.50HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4097430
Name:
2-amino-N-(2-methoxyphenyl)-6-((4-nitrophenyl)thio)benzamideMol. Formula:
C20H17N3O4SM.W.:
395.44Type:
Small moleculeAlogP:
4.59Polar Surface Area:
107.49HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4089701
Name:
2-Amino-N-(2-methoxyphenyl)-6-((4-nitrophenyl)sulfinyl)benzamideMol. Formula:
C20H17N3O5SM.W.:
411.44Type:
Small moleculeAlogP:
3.60Polar Surface Area:
130.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
4.80Polar Surface Area:
161.78HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA4087064
Name:
N-(2-methoxyphenyl)-4-((4-nitrophenyl)thio)thiophene-3-carboxamideMol. Formula:
C18H14N2O4S2M.W.:
386.45Type:
Small moleculeAlogP:
5.07Polar Surface Area:
81.47HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
5.81Polar Surface Area:
93.50HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA4083515
Name:
N-(2-methoxyphenyl)-2-((4-nitrophenyl)thio)-5-(trifluoromethyl)benzamideMol. Formula:
C21H15F3N2O4SM.W.:
448.42Type:
Small moleculeAlogP:
6.03Polar Surface Area:
81.47HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4082549
Name:
N-(2-methoxyphenyl)-5-nitro-2-((4-nitrophenyl)thio)benzamideMol. Formula:
C20H15N3O6SM.W.:
425.42Type:
Small moleculeAlogP:
4.92Polar Surface Area:
124.61HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4081832
Name:
N-(2-methoxyphenyl)-2-(methylamino)-6-((4-nitrophenyl)sulfonyl)benzamideMol. Formula:
C21H19N3O6SM.W.:
441.47Type:
Small moleculeAlogP:
3.73Polar Surface Area:
127.64HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
6.12Polar Surface Area:
127.64HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA4080428
Name:
5-Fluoro-N-(2-methoxyphenyl)-2-((4-nitrophenyl)thio)benzamideMol. Formula:
C20H15FN2O4SM.W.:
398.42Type:
Small moleculeAlogP:
5.15Polar Surface Area:
81.47HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4080082
Name:
5-(dimethylamino)-N-(2-methoxyphenyl)-2-((4-nitrophenyl)thio)benzamideMol. Formula:
C22H21N3O4SM.W.:
423.49Type:
Small moleculeAlogP:
5.07Polar Surface Area:
84.71HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4079396
Name:
5-Acetamido-N-(2-methoxyphenyl)-2-((4-nitrophenyl)thio)benzamideMol. Formula:
C22H19N3O5SM.W.:
437.48Type:
Small moleculeAlogP:
4.97Polar Surface Area:
110.57HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4077082
Name:
N-(2-methoxyphenyl)-2-nitro-6-((4-nitrophenyl)thio)benzamideMol. Formula:
C20H15N3O6SM.W.:
425.42Type:
Small moleculeAlogP:
4.92Polar Surface Area:
124.61HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
4.38Polar Surface Area:
119.52HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.33DETAILS
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