Type:
---AlogP:
8.20Polar Surface Area:
129.36HBA:
10HBD:
4#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.08DETAILS
Type:
---AlogP:
4.74Polar Surface Area:
91.15HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
---AlogP:
4.35Polar Surface Area:
91.15HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA4590410Name:
(E)-3-oxo-1,3-dihydroisobenzofuran-5-yl-(4-fluoro)cinnamateMol. Formula:
C17H11FO4M.W.:
298.27Type:
UnknownAlogP:
3.11Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA4589381Name:
(1-(2,4,6-trichlorobenzyl)-1H-1,2,3-triazol-4-yl)methyl cinnamateMol. Formula:
C19H14Cl3N3O2M.W.:
422.70Type:
UnknownAlogP:
5.04Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS- ALA4589321
Name:
3-(1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)propyl cinnamateMol. Formula:
C21H20FN3O2M.W.:
365.41Type:
UnknownAlogP:
3.65Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA4580071
Name:
3-(1-(2-bromobenzyl)-1H-1,2,3-triazol-4-yl)propyl cinnamateMol. Formula:
C21H20BrN3O2M.W.:
426.31Type:
UnknownAlogP:
4.28Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4579481
Name:
3-(1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl)propyl cinnamateMol. Formula:
C22H23N3O3M.W.:
377.44Type:
UnknownAlogP:
3.52Polar Surface Area:
66.24HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA4579213
Name:
3-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)propyl cinnamateMol. Formula:
C21H20FN3O2M.W.:
365.41Type:
UnknownAlogP:
3.65Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA4578745
Name:
(E)-3-oxo-1,3-dihydroisobenzofuran-5-yl-(4-bromo)cinnamateMol. Formula:
C17H11BrO4M.W.:
359.18Type:
UnknownAlogP:
3.74Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4564191
Name:
(1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl cinnamateMol. Formula:
C20H19N3O3M.W.:
349.39Type:
UnknownAlogP:
3.09Polar Surface Area:
66.24HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4557755
Name:
(E)-3-oxo-1,3-dihydroisobenzofuran-5-yl-(4-nitro)cinnamateMol. Formula:
C17H11NO6M.W.:
325.28Type:
UnknownAlogP:
2.88Polar Surface Area:
95.74HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4540733
Name:
3-(1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)propyl cinnamateMol. Formula:
C21H20ClN3O2M.W.:
381.86Type:
UnknownAlogP:
4.17Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4538623
Name:
3-(1-(3,4-difluorobenzyl)-1H-1,2,3-triazol-4-yl)propyl cinnamateMol. Formula:
C21H19F2N3O2M.W.:
383.40Type:
UnknownAlogP:
3.79Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4535366
Name:
3-(1-(4-(trifluoromethyl)benzyl)-1H-1,2,3-triazol-4-yl)propyl cinnamateMol. Formula:
C22H20F3N3O2M.W.:
415.42Type:
UnknownAlogP:
4.53Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4531372
Name:
3-(1-(4-(trifluoromethoxy)benzyl)-1H-1,2,3-triazol-4-yl)propyl cinnamateMol. Formula:
C22H20F3N3O3M.W.:
431.41Type:
UnknownAlogP:
4.41Polar Surface Area:
66.24HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA4529540
Name:
(E)-3-oxo-1,3-dihydroisobenzofuran-5-yl-(3,4,5-trimethoxy)cinnamateMol. Formula:
C20H18O7M.W.:
370.36Type:
UnknownAlogP:
3.00Polar Surface Area:
80.29HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4514694
Name:
3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl cinnamateMol. Formula:
C21H21N3O2M.W.:
347.42Type:
UnknownAlogP:
3.52Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4464197
Name:
(1-benzyl-1H-1,2,3-triazol-4-yl)methyl cinnamateMol. Formula:
C19H17N3O2M.W.:
319.36Type:
UnknownAlogP:
3.08Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4463061
Name:
(1-(3,4-difluorobenzyl)-1H-1,2,3-triazol-4-yl)methyl cinnamateMol. Formula:
C19H15F2N3O2M.W.:
355.34Type:
UnknownAlogP:
3.36Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS
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