ALA4878701Name:
(E)-1-(3-(4-Pentylphenyl)acryloyl)-2,3-dihydroquinolin-4(1H)-oneMol. Formula:
C23H25NO2M.W.:
347.46Type:
UnknownAlogP:
5.05Polar Surface Area:
37.38HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA4878328Name:
(E)-2-(3-(4-(Isopropylcarbamoyl)phenyl)acrylamido)benzoic AcidMol. Formula:
C20H20N2O4M.W.:
352.39Type:
UnknownAlogP:
3.17Polar Surface Area:
95.50HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
UnknownAlogP:
4.40Polar Surface Area:
44.12HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
UnknownAlogP:
2.48Polar Surface Area:
51.77HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
UnknownAlogP:
3.39Polar Surface Area:
42.54HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS- ALA4877822
Name:
Methyl-2,9-dimethyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylateMol. Formula:
C13H13N3O2M.W.:
243.27Type:
UnknownAlogP:
1.92Polar Surface Area:
48.53HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
UnknownAlogP:
3.14Polar Surface Area:
42.54HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
5.19Polar Surface Area:
42.54HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4876737
Name:
(E)-2-(3-(3-Methyl-[1,1'-biphenyl]-4-yl)acrylamido)benzoic AcidMol. Formula:
C23H19NO3M.W.:
357.41Type:
UnknownAlogP:
5.01Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4876652
Name:
(E)-2-(3-(2'-Methyl-[1,1'-biphenyl]-4-yl)acrylamido)benzoic AcidMol. Formula:
C23H19NO3M.W.:
357.41Type:
UnknownAlogP:
5.01Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4876498
Name:
Methyl-2-methyl-9-propyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylateMol. Formula:
C15H17N3O2M.W.:
271.32Type:
UnknownAlogP:
2.79Polar Surface Area:
48.53HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
2.81Polar Surface Area:
51.77HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
UnknownAlogP:
4.03Polar Surface Area:
51.77HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4875057
Name:
(E)-4-(3-(4-Pentylphenyl)acrylamido)benzoic AcidMol. Formula:
C21H23NO3M.W.:
337.42Type:
UnknownAlogP:
4.77Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
3.37Polar Surface Area:
48.53HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4874218
Name:
(E)-3-Chloro-2-(3-(4-pentylphenyl)acrylamido)benzoic AcidMol. Formula:
C21H22ClNO3M.W.:
371.86Type:
UnknownAlogP:
5.42Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
4.31Polar Surface Area:
42.54HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
2.94Polar Surface Area:
25.47HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
UnknownAlogP:
4.92Polar Surface Area:
55.68HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA4872944
Name:
(E)-1-(3-(4-Pentylphenyl)acryloyl)-3,4-dihydro-1H-benzo[b]-azepin-5(2H)-oneMol. Formula:
C24H27NO2M.W.:
361.49Type:
UnknownAlogP:
5.44Polar Surface Area:
37.38HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS
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