Type:
Small moleculeAlogP:
3.30Polar Surface Area:
63.73HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA2269571Name:
rac-1-(2-(2,4-dichlorophenyl)-3-(3-phenylpropoxy)propyl)-1H-1,2,4-triazoleMol. Formula:
C20H21Cl2N3OM.W.:
390.31Type:
Small moleculeAlogP:
5.02Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA2269570Name:
rac-1-(3-(cinnamyloxy)-2-(2,4-dichlorophenyl)propyl)-1H-1,2,4-triazoleMol. Formula:
C20H19Cl2N3OM.W.:
388.30Type:
Small moleculeAlogP:
5.10Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA2269569Name:
1-(2-(2,4-dichlorophenyl)-3-(prop-2-ynyloxy)propyl)-1H-1,2,4-triazoleMol. Formula:
C14H13Cl2N3OM.W.:
310.18Type:
Small moleculeAlogP:
3.02Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA2269568Name:
rac-1-(3-(2-chloroallyloxy)-2-(2,4-dichlorophenyl)propyl)-1H-1,2,4-triazoleMol. Formula:
C14H14Cl3N3OM.W.:
346.65Type:
Small moleculeAlogP:
4.14Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.76DETAILS-
Type:
Small moleculeAlogP:
4.35Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2269566
Name:
rac-1-(2-(2,4-dichlorophenyl)-3-(2-methylallyloxy)propyl)-1H-1,2,4-triazoleMol. Formula:
C15H17Cl2N3OM.W.:
326.23Type:
Small moleculeAlogP:
3.96Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA2269565
Name:
(-)-(S)-1-(3-(allyloxy)-2-(2,4-dichlorophenyl)propyl)-1H-1,2,4-triazoleMol. Formula:
C14H15Cl2N3OM.W.:
312.20Type:
Small moleculeAlogP:
3.57Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA2269564
Name:
(+)-(R)-1-(3-(allyloxy)-2-(2,4-dichlorophenyl)propyl)-1H-1,2,4-triazoleMol. Formula:
C14H15Cl2N3OM.W.:
312.20Type:
Small moleculeAlogP:
3.57Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA2269548
Name:
1-(2-(2,4-dichlorophenyl)allyl)-1H-1,2,4-triazoleMol. Formula:
C11H9Cl2N3M.W.:
254.12Type:
Small moleculeAlogP:
3.30Polar Surface Area:
30.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA2269547
Name:
rac-3-(2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy)propan-1-olMol. Formula:
C14H17Cl2N3O2M.W.:
330.22Type:
Small moleculeAlogP:
2.77Polar Surface Area:
60.17HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.76DETAILS
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