ALA1213411Name:
3-[(3-Amino-propoxyimino)-methyl]-benzoic acid, hydrochlorideMol. Formula:
C11H15ClN2O3M.W.:
258.70Type:
Small moleculeAlogP:
1.08Polar Surface Area:
84.91HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS
ALA1213410Name:
3-[(3-Aminooxy-propylamino)-methyl]-benzoic acid, dihydrochlorideMol. Formula:
C11H18Cl2N2O3M.W.:
297.18Type:
Small moleculeAlogP:
0.75Polar Surface Area:
84.58HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
-1.57Polar Surface Area:
113.00HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
Small moleculeAlogP:
-1.24Polar Surface Area:
113.33HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
0.42Polar Surface Area:
127.08HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.40DETAILS-
Type:
Small moleculeAlogP:
0.29Polar Surface Area:
136.64HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
0.16Polar Surface Area:
146.20HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
0.29Polar Surface Area:
136.64HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA312142
Name:
6-(4-Hexyloxy-phenylamino)-1H-pyrimidine-2,4-dioneMol. Formula:
C16H21N3O3M.W.:
303.36Type:
Small moleculeAlogP:
3.59Polar Surface Area:
87.50HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA308968
Name:
1-(2-Hydroxy-ethyl)-6-(4-octyl-phenylamino)-1H-pyrimidine-2,4-dioneMol. Formula:
C20H29N3O3M.W.:
359.47Type:
Small moleculeAlogP:
3.18Polar Surface Area:
87.12HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA310414
Name:
1-Ethyl-6-(4-hexyl-phenylamino)-1H-pyrimidine-2,4-dioneMol. Formula:
C18H25N3O2M.W.:
315.42Type:
Small moleculeAlogP:
3.42Polar Surface Area:
66.89HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA77920
Name:
6-(4-Hexyl-phenylamino)-1-propyl-1H-pyrimidine-2,4-dioneMol. Formula:
C19H27N3O2M.W.:
329.44Type:
Small moleculeAlogP:
3.81Polar Surface Area:
66.89HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA77919
Name:
6-(4-Hexyl-phenylamino)-1-(2-methoxy-ethyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C19H27N3O3M.W.:
345.44Type:
Small moleculeAlogP:
3.05Polar Surface Area:
76.12HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA262759
Name:
6-(4-Hexyl-phenylamino)-1-methyl-1H-pyrimidine-2,4-dioneMol. Formula:
C17H23N3O2M.W.:
301.39Type:
Small moleculeAlogP:
2.94Polar Surface Area:
66.89HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA306578
Name:
6-(4-Hexyl-phenylamino)-1-(2-hydroxy-ethyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C18H25N3O3M.W.:
331.42Type:
Small moleculeAlogP:
2.40Polar Surface Area:
87.12HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA80215
Name:
6-(4-Hexyl-phenylamino)-1-(3-methoxy-propyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C20H29N3O3M.W.:
359.47Type:
Small moleculeAlogP:
3.44Polar Surface Area:
76.12HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA80579
Name:
6-(4-Hexyl-phenylamino)-1-(3-hydroxy-propyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C19H27N3O3M.W.:
345.44Type:
Small moleculeAlogP:
2.79Polar Surface Area:
87.12HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.75Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA305824
Name:
1-(2-Methoxy-ethyl)-6-(4-octyl-phenylamino)-1H-pyrimidine-2,4-dioneMol. Formula:
C21H31N3O3M.W.:
373.50Type:
Small moleculeAlogP:
3.83Polar Surface Area:
76.12HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
5.31Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.48DETAILS
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