ALA5198515Name:
3-((4-((2-formylphenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)benzonitrileMol. Formula:
C18H14N4O2M.W.:
318.34Type:
---AlogP:
2.59Polar Surface Area:
80.80HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
---AlogP:
4.44Polar Surface Area:
196.49HBA:
14HBD:
1#RO5 Violations:
2#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.11DETAILS
ALA5196752Name:
2-((1-(2-methylbenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzaldehydeMol. Formula:
C18H17N3O2M.W.:
307.35Type:
---AlogP:
3.03Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
---AlogP:
-0.40Polar Surface Area:
242.75HBA:
17HBD:
2#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.18DETAILS
ALA5196500Name:
2-((1-(2-methoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzaldehydeMol. Formula:
C18H17N3O3M.W.:
323.35Type:
---AlogP:
2.73Polar Surface Area:
66.24HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS- ALA5196295
Name:
5-fluoro-2-((1-propyl-1H-1,2,3-triazol-4-yl)methoxy)benzaldehydeMol. Formula:
C13H14FN3O2M.W.:
263.27Type:
---AlogP:
2.22Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
0.91Polar Surface Area:
254.69HBA:
16HBD:
3#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
---AlogP:
2.91Polar Surface Area:
176.26HBA:
15HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
---AlogP:
1.79Polar Surface Area:
225.59HBA:
15HBD:
2#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA5204150
Name:
4-fluoro-2-((1-(3-methoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzaldehydeMol. Formula:
C18H16FN3O3M.W.:
341.34Type:
---AlogP:
2.87Polar Surface Area:
66.24HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA5203248
Name:
2-((1-butyl-1H-1,2,3-triazol-4-yl)methoxy)benzaldehydeMol. Formula:
C14H17N3O2M.W.:
259.31Type:
---AlogP:
2.47Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA5203231
Name:
2-((1-(3-methoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzonitrileMol. Formula:
C18H16N4O2M.W.:
320.35Type:
---AlogP:
2.79Polar Surface Area:
72.96HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
---AlogP:
5.08Polar Surface Area:
112.19HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
---AlogP:
2.64Polar Surface Area:
201.18HBA:
15HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA5202765
Name:
2-((1-butyl-1H-1,2,3-triazol-4-yl)methoxy)-5-fluorobenzaldehydeMol. Formula:
C14H16FN3O2M.W.:
277.30Type:
---AlogP:
2.61Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
---AlogP:
2.73Polar Surface Area:
80.80HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA5200229
Name:
2-((4-((2-formylphenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)benzonitrileMol. Formula:
C18H14N4O2M.W.:
318.34Type:
---AlogP:
2.59Polar Surface Area:
80.80HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
---AlogP:
0.30Polar Surface Area:
203.31HBA:
17HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
---AlogP:
4.01Polar Surface Area:
188.29HBA:
14HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
---AlogP:
1.45Polar Surface Area:
112.19HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS
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