ALA5288859Name:
3-((3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino)benzoic acidMol. Formula:
C18H15N5O2M.W.:
333.35Type:
---AlogP:
3.28Polar Surface Area:
92.41HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
---AlogP:
1.18Polar Surface Area:
107.87HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS
ALA4800434Name:
2-Chloro-9-((6-(2-fluorophenyl)pyridin-2-yl)methyl)-9H-purin-6-amineMol. Formula:
C17H12ClFN6M.W.:
354.78Type:
UnknownAlogP:
3.31Polar Surface Area:
82.51HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA4798107Name:
2-Chloro-9-((6-(cyclopent-1-en-1-yl)pyridin-2-yl)methyl)-9H-purin-6-amineMol. Formula:
C16H15ClN6M.W.:
326.79Type:
UnknownAlogP:
3.07Polar Surface Area:
82.51HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA4796601Name:
2-Chloro-9-((6-methylpyridin-2-yl)methyl)-9H-purin-6-amineMol. Formula:
C12H11ClN6M.W.:
274.71Type:
UnknownAlogP:
1.81Polar Surface Area:
82.51HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS- ALA4790482
Name:
2-Chloro-9-((6-cyclopentylpyridin-2-yl)methyl)-9H-purin-6-amineMol. Formula:
C16H17ClN6M.W.:
328.81Type:
UnknownAlogP:
3.16Polar Surface Area:
82.51HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
2.71Polar Surface Area:
91.74HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
UnknownAlogP:
2.40Polar Surface Area:
91.74HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA4786234
Name:
2-Chloro-9-((6-(2,2-difluoroethoxy)pyridin-2-yl)methyl)-9H-purin-6-amineMol. Formula:
C13H11ClF2N6OM.W.:
340.72Type:
UnknownAlogP:
2.15Polar Surface Area:
91.74HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4780510
Name:
2-Chloro-9-(pyridin-2-ylmethyl)-9H-purin-6-amineMol. Formula:
C11H9ClN6M.W.:
260.69Type:
UnknownAlogP:
1.51Polar Surface Area:
82.51HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4778928
Name:
2-Chloro-9-((6-(furan-2-yl)pyridin-2-yl)methyl)-9H-purin-6-amineMol. Formula:
C15H11ClN6OM.W.:
326.75Type:
UnknownAlogP:
2.77Polar Surface Area:
95.65HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
2.71Polar Surface Area:
91.74HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4757863
Name:
2-Chloro-9-((4-(2,2-difluoroethoxy)pyridin-2-yl)methyl)-9H-purin-6-amineMol. Formula:
C13H11ClF2N6OM.W.:
340.72Type:
UnknownAlogP:
2.15Polar Surface Area:
91.74HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4753446
Name:
2-Chloro-9-(1-(4-(2,2-difluoroethoxy)pyridin-2-yl)ethyl)-9H-purin-6-amineMol. Formula:
C14H13ClF2N6OM.W.:
354.75Type:
UnknownAlogP:
2.71Polar Surface Area:
91.74HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4750412
Name:
2-Chloro-9-((4-methoxypyridin-2-yl)methyl)-9H-purin-6-amineMol. Formula:
C12H11ClN6OM.W.:
290.71Type:
UnknownAlogP:
1.51Polar Surface Area:
91.74HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4747327
Name:
2-Chloro-9-((4-chloropyridin-2-yl)methyl)-9H-purin-6-amineMol. Formula:
C11H8Cl2N6M.W.:
295.13Type:
UnknownAlogP:
2.16Polar Surface Area:
82.51HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
2.31Polar Surface Area:
91.74HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
3.88Polar Surface Area:
71.26HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
4.77Polar Surface Area:
71.26HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS
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