Type:
Small moleculeAlogP:
7.07Polar Surface Area:
30.93HBA:
3HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
30.93HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA4292427Name:
1-(2-(2,4-difluorophenyl)-2-(4-nitrobenzyloxy)ethyl)-1H-1,2,4-triazoleMol. Formula:
C17H14F2N4O3M.W.:
360.32Type:
Small moleculeAlogP:
3.42Polar Surface Area:
83.08HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA4289022Name:
1-(2-(2-chlorobenzyloxy)-2-(2,4-difluorophenyl)ethyl)-1H-1,2,4-triazoleMol. Formula:
C17H14ClF2N3OM.W.:
349.77Type:
Small moleculeAlogP:
4.17Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS
ALA4288584Name:
1-(2-(2,4-dichlorobenzyloxy)-2-(2,4-difluorophenyl)ethyl)-1H-1,2,4-triazoleMol. Formula:
C17H13Cl2F2N3OM.W.:
384.21Type:
Small moleculeAlogP:
4.82Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS-
Type:
Small moleculeAlogP:
4.59Polar Surface Area:
79.38HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
7.07Polar Surface Area:
30.93HBA:
3HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA4285634
Name:
1-(2-(4-chlorobenzyloxy)-2-(2,4-difluorophenyl)ethyl)-1H-1,2,4-triazoleMol. Formula:
C17H14ClF2N3OM.W.:
349.77Type:
Small moleculeAlogP:
4.17Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4285240
Name:
1-(2-(2,4-difluorobenzyloxy)-2-(2,4-difluorophenyl)ethyl)-1H-1,2,4-triazoleMol. Formula:
C17H13F4N3OM.W.:
351.30Type:
Small moleculeAlogP:
3.79Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4284744
Name:
1,6-bis(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethoxy)hexaneMol. Formula:
C26H28F4N6O2M.W.:
532.54Type:
Small moleculeAlogP:
5.20Polar Surface Area:
79.88HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
5.37Polar Surface Area:
79.38HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
4.27Polar Surface Area:
117.21HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA4281801
Name:
1-(2-(2,4-difluorophenyl)-2-(2-fluorobenzyloxy)ethyl)-1H-1,2,4-triazoleMol. Formula:
C17H14F3N3OM.W.:
333.31Type:
Small moleculeAlogP:
3.65Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4280679
Name:
1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanolMol. Formula:
C10H9F2N3OM.W.:
225.20Type:
Small moleculeAlogP:
1.29Polar Surface Area:
50.94HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
3.81Polar Surface Area:
79.38HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4278784
Name:
1-(2-(2,4-difluorophenyl)-2-propoxyethyl)-1H-1,2,4-triazoleMol. Formula:
C13H15F2N3OM.W.:
267.28Type:
Small moleculeAlogP:
2.72Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA4278345
Name:
1-(2-(3-chlorobenzyloxy)-2-(2,4-difluorophenyl)ethyl)-1H-1,2,4-triazoleMol. Formula:
C17H14ClF2N3OM.W.:
349.77Type:
Small moleculeAlogP:
4.17Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
5.01Polar Surface Area:
30.93HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA4277286
Name:
1-(2-(3,4-dichlorobenzyloxy)-2-(2,4-difluorophenyl)ethyl)-1H-1,2,4-triazoleMol. Formula:
C17H13Cl2F2N3OM.W.:
384.21Type:
Small moleculeAlogP:
4.82Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4276799
Name:
1,4-bis(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethoxy)butaneMol. Formula:
C24H24F4N6O2M.W.:
504.49Type:
Small moleculeAlogP:
4.42Polar Surface Area:
79.88HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.20DETAILS
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