ALA4086946Name:
6-Benzyl-3-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-oneMol. Formula:
C18H14N4OM.W.:
302.34Type:
Small moleculeAlogP:
2.68Polar Surface Area:
63.05HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS
ALA440977Name:
5-butyl-1-(2,6-dichlorophenyl)-1H-1,2,3-triazoleMol. Formula:
C12H13Cl2N3M.W.:
270.16Type:
Small moleculeAlogP:
3.92Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA236432Name:
4-butyl-1-(2,6-dichlorophenyl)-1H-1,2,3-triazoleMol. Formula:
C12H13Cl2N3M.W.:
270.16Type:
Small moleculeAlogP:
3.92Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA393487Name:
5-butyl-1-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazoleMol. Formula:
C13H14F3N3M.W.:
269.27Type:
Small moleculeAlogP:
3.63Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS-
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA392618
Name:
1-(4-bromo-2,6-dichlorophenyl)-5-butyl-1H-1,2,3-triazoleMol. Formula:
C12H12BrCl2N3M.W.:
349.06Type:
Small moleculeAlogP:
4.68Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA237487
Name:
1-(4-bromo-2,6-dichlorophenyl)-4-butyl-1H-1,2,3-triazoleMol. Formula:
C12H12BrCl2N3M.W.:
349.06Type:
Small moleculeAlogP:
4.68Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA392617
Name:
5-butyl-1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazoleMol. Formula:
C12H12Cl3N3M.W.:
304.61Type:
Small moleculeAlogP:
4.57Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA237486
Name:
4-butyl-1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazoleMol. Formula:
C12H12Cl3N3M.W.:
304.61Type:
Small moleculeAlogP:
4.57Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
2.59Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA437753
Name:
4-butyl-1-(2,6-dichloro-4-ethynylphenyl)-1H-1,2,3-triazoleMol. Formula:
C14H13Cl2N3M.W.:
294.19Type:
Small moleculeAlogP:
3.90Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
4.84Polar Surface Area:
56.73HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA235785
Name:
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-phenyl-1H-1,2,3-triazoleMol. Formula:
C15H8Cl2F3N3M.W.:
358.15Type:
Small moleculeAlogP:
5.26Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA397814
Name:
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-phenyl-1H-1,2,3-triazoleMol. Formula:
C15H8Cl2F3N3M.W.:
358.15Type:
Small moleculeAlogP:
5.26Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
4.76Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA397813
Name:
4-cyclohexyl-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-1,2,3-triazoleMol. Formula:
C15H14Cl2F3N3M.W.:
364.20Type:
Small moleculeAlogP:
5.64Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA235577
Name:
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-hexyl-1H-1,2,3-triazoleMol. Formula:
C15H16Cl2F3N3M.W.:
366.21Type:
Small moleculeAlogP:
5.72Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA396110
Name:
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-hexyl-1H-1,2,3-triazoleMol. Formula:
C15H16Cl2F3N3M.W.:
366.21Type:
Small moleculeAlogP:
5.72Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA236209
Name:
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-pentyl-1H-1,2,3-triazoleMol. Formula:
C14H14Cl2F3N3M.W.:
352.19Type:
Small moleculeAlogP:
5.33Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS
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