ALA4572083Name:
N-(1-benzylpiperidin-4-yl)-2-(4-chloro-2-methylphenoxy)acetamideMol. Formula:
C21H25ClN2O2M.W.:
372.90Type:
UnknownAlogP:
3.81Polar Surface Area:
41.57HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA4571855Name:
N-(1-benzylpiperidin-4-yl)-5-bromo-3-methylbenzofuran-2-carboxamideMol. Formula:
C22H23BrN2O2M.W.:
427.34Type:
UnknownAlogP:
4.90Polar Surface Area:
45.48HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
UnknownAlogP:
3.98Polar Surface Area:
28.48HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
UnknownAlogP:
3.83Polar Surface Area:
49.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
UnknownAlogP:
4.14Polar Surface Area:
42.01HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS-
Type:
UnknownAlogP:
4.72Polar Surface Area:
71.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
5.47Polar Surface Area:
79.37HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
6.79Polar Surface Area:
41.57HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
UnknownAlogP:
5.18Polar Surface Area:
62.19HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
7.01Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
6.94Polar Surface Area:
89.85HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA4455933
Name:
N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)-3,5-dihydroxybenzamideMol. Formula:
C20H22N2O5M.W.:
370.41Type:
UnknownAlogP:
2.22Polar Surface Area:
91.26HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
8.06Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
UnknownAlogP:
4.58Polar Surface Area:
69.62HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4446150
Name:
N-(2,4-dichlorobenzyl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)benzamideMol. Formula:
C24H22Cl2N2OM.W.:
425.36Type:
UnknownAlogP:
5.48Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
UnknownAlogP:
3.56Polar Surface Area:
96.33HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
UnknownAlogP:
6.12Polar Surface Area:
50.80HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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