ALA5271981Name:
6-benzyl-9-((tetrahydro-2H-pyran-2-yl)methyl)-9H-purine-2-carbonitrileMol. Formula:
C19H19N5OM.W.:
333.40Type:
---AlogP:
2.86Polar Surface Area:
76.62HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA5269109Name:
9-butyl-6-(4-methoxybenzyl)-9H-purine-2-carbonitrileMol. Formula:
C18H19N5OM.W.:
321.38Type:
---AlogP:
3.10Polar Surface Area:
76.62HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS
ALA5268387Name:
9-butyl-6-(3,4-dichlorobenzyl)-9H-purine-2-carbonitrileMol. Formula:
C17H15Cl2N5M.W.:
360.25Type:
---AlogP:
4.40Polar Surface Area:
67.39HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
---AlogP:
1.56Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS
ALA5267962Name:
1-(3,4-dihydroxyphenyl)-5-phenylpenta-1,4-dien-3-oneMol. Formula:
C17H14O3M.W.:
266.30Type:
---AlogP:
3.39Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS-
Type:
---AlogP:
5.35Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA5281581
Name:
6-benzyl-9-(3-(trifluoromethyl)benzyl)-9H-purine-2-carbonitrileMol. Formula:
C21H14F3N5M.W.:
393.37Type:
---AlogP:
4.36Polar Surface Area:
67.39HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA5281356
Name:
2-(((1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)amino)ethan-1-olMol. Formula:
C11H13ClN4OM.W.:
252.71Type:
---AlogP:
1.00Polar Surface Area:
62.97HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA5280945
Name:
9-butyl-6-(3-methylbenzyl)-9H-purine-2-carbonitrileMol. Formula:
C18H19N5M.W.:
305.39Type:
---AlogP:
3.40Polar Surface Area:
67.39HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA5280796
Name:
1,7-bis(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dioneMol. Formula:
C25H28O8M.W.:
456.49Type:
---AlogP:
3.99Polar Surface Area:
89.52HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
---AlogP:
5.13Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA5278559
Name:
1-(3,4-dichlorophenyl)-5-phenylpenta-1,4-dien-3-oneMol. Formula:
C17H12Cl2OM.W.:
303.19Type:
---AlogP:
5.29Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
---AlogP:
3.89Polar Surface Area:
60.21HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
---AlogP:
4.64Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
---AlogP:
3.66Polar Surface Area:
75.61HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
---AlogP:
4.09Polar Surface Area:
98.21HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
---AlogP:
1.41Polar Surface Area:
80.04HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
---AlogP:
6.93Polar Surface Area:
18.46HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
---AlogP:
3.87Polar Surface Area:
72.45HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA5286103
Name:
1-(3,4-dihydroxyphenyl)-5-(4-methoxyphenyl)penta-1,4-dien-3-oneMol. Formula:
C18H16O4M.W.:
296.32Type:
---AlogP:
3.40Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS
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