ALA2286754Name:
ethyl 4-amino-3-phenyl-2-(propylimino)-2,3-dihydrothiazole-5-carboxylateMol. Formula:
C15H19N3O2SM.W.:
305.40Type:
Small moleculeAlogP:
2.61Polar Surface Area:
69.61HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS
ALA2286753Name:
ethyl 4-amino-2-(hexylimino)-3-phenyl-2,3-dihydrothiazole-5-carboxylateMol. Formula:
C18H25N3O2SM.W.:
347.48Type:
Small moleculeAlogP:
3.78Polar Surface Area:
69.61HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA2286525Name:
ethyl 4-amino-2-(butylimino)-3-phenyl-2,3-dihydrothiazole-5-carboxylateMol. Formula:
C16H21N3O2SM.W.:
319.43Type:
Small moleculeAlogP:
3.00Polar Surface Area:
69.61HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS
ALA2286524Name:
ethyl 4-amino-2-(benzylimino)-3-phenyl-2,3-dihydrothiazole-5-carboxylateMol. Formula:
C19H19N3O2SM.W.:
353.45Type:
Small moleculeAlogP:
3.40Polar Surface Area:
69.61HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA2286523Name:
ethyl 4-amino-3-phenyl-2-(phenylimino)-2,3-dihydrothiazole-5-carboxylateMol. Formula:
C18H17N3O2SM.W.:
339.42Type:
Small moleculeAlogP:
3.53Polar Surface Area:
69.61HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS-
Type:
Small moleculeAlogP:
4.05Polar Surface Area:
69.61HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
4.29Polar Surface Area:
69.61HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA2286520
Name:
ethyl 4-amino-3-phenyl-2-(p-tolylimino)-2,3-dihydrothiazole-5-carboxylateMol. Formula:
C19H19N3O2SM.W.:
353.45Type:
Small moleculeAlogP:
3.84Polar Surface Area:
69.61HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
3.54Polar Surface Area:
78.84HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
3.41Polar Surface Area:
139.22HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
3.80Polar Surface Area:
139.22HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
4.97Polar Surface Area:
139.22HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA2272999
Name:
(Z)-ethoxyethyl 2-cyano-3-isopropyl-3-(4-chlorophenyl)-methaneaminoacrylateMol. Formula:
C18H23ClN2O3M.W.:
350.85Type:
Small moleculeAlogP:
3.44Polar Surface Area:
71.35HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA2272479
Name:
2-((4-Fluorophenoxy)methyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-oneMol. Formula:
C17H14FNO5M.W.:
331.30Type:
Small moleculeAlogP:
2.92Polar Surface Area:
70.79HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA2272478
Name:
2-((4-Fluorophenoxy)methyl)-6-methyl-4H-3,1-benzoxazin-4-oneMol. Formula:
C16H12FNO3M.W.:
285.27Type:
Small moleculeAlogP:
3.21Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2272477
Name:
7-Chloro-2-((4-fluorophenoxy)methyl)-4H-3,1-benzoxazin-4-oneMol. Formula:
C15H9ClFNO3M.W.:
305.69Type:
Small moleculeAlogP:
3.56Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2268525
Name:
6-Chloro-2-((4-fluorophenoxy)methyl)-4H-3,1-benzoxazin-4-oneMol. Formula:
C15H9ClFNO3M.W.:
305.69Type:
Small moleculeAlogP:
3.56Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2272476
Name:
5-Chloro-2-((4-fluorophenoxy)methyl)-4H-3,1-benzoxazin-4-oneMol. Formula:
C15H9ClFNO3M.W.:
305.69Type:
Small moleculeAlogP:
3.56Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2272475
Name:
2-((4-Fluorophenoxy)methyl)-4H-3,1-benzoxazin-4-oneMol. Formula:
C15H10FNO3M.W.:
271.25Type:
Small moleculeAlogP:
2.91Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA2272474
Name:
2-((2,4-Dichlorophenoxy)methyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-oneMol. Formula:
C17H13Cl2NO5M.W.:
382.20Type:
Small moleculeAlogP:
4.09Polar Surface Area:
70.79HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS
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