ALA4789270Name:
4-(8-amino-6-phenylimidazo[1,2-a]pyrazin-5-yl)-2-chlorophenolMol. Formula:
C18H13ClN4OM.W.:
336.78Type:
UnknownAlogP:
4.00Polar Surface Area:
76.44HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS
2-Phenyl-imidazo[1,2-a]pyridin-3-ylamineName:
2-phenylimidazo[1,2-a]pyridin-3-amineMol. Formula:
C13H11N3M.W.:
209.25Type:
Small moleculeAlogP:
2.58Polar Surface Area:
43.32HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.67DETAILS
ALA4065991Name:
3-cyclohexylamino-2-(4'-methylphenyl)imidazo[1,2-a]pyridineMol. Formula:
C20H23N3M.W.:
305.43Type:
Small moleculeAlogP:
5.05Polar Surface Area:
29.33HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA3980673Name:
1,3-Diethyl-7-methyl-8-(4-methoxyphenoxymethyl)xanthineMol. Formula:
C18H22N4O4M.W.:
358.40Type:
Small moleculeAlogP:
1.52Polar Surface Area:
80.28HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS
ALA3752439Name:
3-(2-amino-6-phenylpyrimidin-4-yl)phenyl N,N-diethylcarbamateMol. Formula:
C21H22N4O2M.W.:
362.43Type:
Small moleculeAlogP:
4.23Polar Surface Area:
81.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS- ALA3751996
Name:
3-(2-amino-6-phenylpyrimidin-4-yl)phenyl N,N-dimethylcarbamateMol. Formula:
C19H18N4O2M.W.:
334.38Type:
Small moleculeAlogP:
3.45Polar Surface Area:
81.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA3754358
Name:
3-(2-amino-6-phenylpyrimidin-4-yl)phenyl pyrrolidine-1-carboxylateMol. Formula:
C21H20N4O2M.W.:
360.42Type:
Small moleculeAlogP:
3.99Polar Surface Area:
81.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA3754167
Name:
3-(2-amino-6-phenylpyrimidin-4-yl)phenyl morpholine-4-carboxylateMol. Formula:
C21H20N4O3M.W.:
376.42Type:
Small moleculeAlogP:
3.22Polar Surface Area:
90.57HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA3753390
Name:
3-(2-amino-6-phenylpyrimidin-4-yl)phenyl 4-methylpiperazine-1-carboxylateMol. Formula:
C22H23N5O2M.W.:
389.46Type:
Small moleculeAlogP:
3.14Polar Surface Area:
84.58HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA3753339
Name:
3-(2-amino-6-phenylpyrimidin-4-yl)phenyl piperidine-1-carboxylateMol. Formula:
C22H22N4O2M.W.:
374.44Type:
Small moleculeAlogP:
4.38Polar Surface Area:
81.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
3.53Polar Surface Area:
85.25HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA3735985
Name:
4-(5-methylfuran-2-yl)-6-[3-(piperidine-1-carbonyl)phenyl]pyrimidin-2-amineMol. Formula:
C21H22N4O2M.W.:
362.43Type:
Small moleculeAlogP:
3.92Polar Surface Area:
85.25HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
3.07Polar Surface Area:
88.49HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
88.49HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA3735683
Name:
4-(5-methylfuran-2-yl)-6-[3-(morpholine-4-carbonyl)phenyl]pyrimidin-2-amineMol. Formula:
C20H20N4O3M.W.:
364.41Type:
Small moleculeAlogP:
2.77Polar Surface Area:
94.48HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
2.11Polar Surface Area:
91.14HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3735200
Name:
4-(4-fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amineMol. Formula:
C14H10FN3OM.W.:
255.25Type:
Small moleculeAlogP:
3.12Polar Surface Area:
64.94HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA3291310
Name:
8-(2-Furyl)-2-[2-(1-hydroxycyclohexyl)ethyn-1-yl]-N9-propargyladenineMol. Formula:
C20H19N5O2M.W.:
361.41Type:
Small moleculeAlogP:
2.35Polar Surface Area:
102.99HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA3291309
Name:
8-Chloro-2-[2-(1-hydroxycyclohexyl)ethyn-1-yl]-N9-propargyladenineMol. Formula:
C16H16ClN5OM.W.:
329.79Type:
Small moleculeAlogP:
1.74Polar Surface Area:
89.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA3291308
Name:
8-Bromo-2-[2-(1-hydroxycyclohexyl)ethyn-1-yl]-N9-propargyladenineMol. Formula:
C16H16BrN5OM.W.:
374.24Type:
Small moleculeAlogP:
1.85Polar Surface Area:
89.85HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS
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