Type:
Small moleculeAlogP:
1.41Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.63DETAILS
ALA2269023Name:
2-Isopropyl-6-methylpyrimidin-4-yl 4-chlorobenzoateMol. Formula:
C15H15ClN2O2M.W.:
290.75Type:
Small moleculeAlogP:
3.78Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS
ALA2269022Name:
2-Isopropyl-6-methylpyrimidin-4-yl 4-fluorobenzoateMol. Formula:
C15H15FN2O2M.W.:
274.30Type:
Small moleculeAlogP:
3.27Polar Surface Area:
52.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS
ALA2269021Name:
2-Isopropyl-6-methylpyrimidin-4-yl morpholine-4-carboxylateMol. Formula:
C13H19N3O3M.W.:
265.31Type:
Small moleculeAlogP:
1.74Polar Surface Area:
64.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS
ALA2269020Name:
N-cyclohexyl-2-isopropyl-6-methylpyrimidin-4-amineMol. Formula:
C14H23N3M.W.:
233.36Type:
Small moleculeAlogP:
3.65Polar Surface Area:
37.81HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS- ALA2269019
Name:
2-Isopropyl-6-methyl-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amineMol. Formula:
C15H16F3N3OM.W.:
311.31Type:
Small moleculeAlogP:
4.55Polar Surface Area:
47.04HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
3.65Polar Surface Area:
37.81HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA2269017
Name:
2-[(2-Chlorothiazol-5-yl)methyl]amino-4,6-dimethoxypyrimidineMol. Formula:
C10H11ClN4O2SM.W.:
286.74Type:
Small moleculeAlogP:
2.22Polar Surface Area:
69.16HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA2269016
Name:
2-[(6-Chloropyridin-3-yl)methyl]amino-4,6-dimethoxypyrimidineMol. Formula:
C12H13ClN4O2M.W.:
280.71Type:
Small moleculeAlogP:
2.15Polar Surface Area:
69.16HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA2269015
Name:
2-chloro-5-((2-isopropyl-6-methylpyrimidin-4-yloxy)methyl)thiazoleMol. Formula:
C12H14ClN3OSM.W.:
283.78Type:
Small moleculeAlogP:
3.60Polar Surface Area:
47.90HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA2269014
Name:
4-[(6-Chloropyridin-3-yl)methoxy]-2-isopropyl-6-methylpyrimidineMol. Formula:
C14H16ClN3OM.W.:
277.75Type:
Small moleculeAlogP:
3.54Polar Surface Area:
47.90HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
3.13Polar Surface Area:
48.00HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2269012
Name:
2-Isopropyl-6-methylpyrimidin-4-yl-3,4,5-trimethoxybenzoateMol. Formula:
C18H22N2O5M.W.:
346.38Type:
Small moleculeAlogP:
3.15Polar Surface Area:
79.77HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2228757
Name:
(5-(2,4-difluorophenyl)furan-2-yl)methyl 2,6-difluorobenzoylcarbamateMol. Formula:
C19H11F4NO4M.W.:
393.29Type:
Small moleculeAlogP:
4.57Polar Surface Area:
68.54HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA2228756
Name:
(5-(4-fluorophenyl)furan-2-yl)methyl 2,6-difluorobenzoylcarbamateMol. Formula:
C19H12F3NO4M.W.:
375.30Type:
Small moleculeAlogP:
4.43Polar Surface Area:
68.54HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA2228755
Name:
(5-(3-fluorophenyl)furan-2-yl)methyl 2,6-difluorobenzoylcarbamateMol. Formula:
C19H12F3NO4M.W.:
375.30Type:
Small moleculeAlogP:
4.43Polar Surface Area:
68.54HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA2228754
Name:
(5-(2-fluorophenyl)furan-2-yl)methyl 2,6-difluorobenzoylcarbamateMol. Formula:
C19H12F3NO4M.W.:
375.30Type:
Small moleculeAlogP:
4.43Polar Surface Area:
68.54HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA2228753
Name:
(5-(4-bromophenyl)furan-2-yl)methyl 2-chlorobenzoylcarbamateMol. Formula:
C19H13BrClNO4M.W.:
434.67Type:
Small moleculeAlogP:
5.43Polar Surface Area:
68.54HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA2228752
Name:
(5-(2-bromophenyl)furan-2-yl)methyl 2-chlorobenzoylcarbamateMol. Formula:
C19H13BrClNO4M.W.:
434.67Type:
Small moleculeAlogP:
5.43Polar Surface Area:
68.54HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA2228751
Name:
(5-(4-chlorophenyl)furan-2-yl)methyl 2-chlorobenzoylcarbamateMol. Formula:
C19H13Cl2NO4M.W.:
390.22Type:
Small moleculeAlogP:
5.32Polar Surface Area:
68.54HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS
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