Type:
---AlogP:
4.71Polar Surface Area:
54.04HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
---AlogP:
4.17Polar Surface Area:
66.93HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
---AlogP:
3.81Polar Surface Area:
90.05HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
---AlogP:
4.10Polar Surface Area:
66.93HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA5276806Name:
(trans)-3-((6-phenylpyridazin-3-yl)oxy)-2-(pyridin-3-ylmethyl)quinuclidineMol. Formula:
C23H24N4OM.W.:
372.47Type:
---AlogP:
3.62Polar Surface Area:
51.14HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS-
Type:
---AlogP:
4.10Polar Surface Area:
66.93HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
---AlogP:
3.68Polar Surface Area:
51.14HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA5290023
Name:
(trans)-3-(isoquinolin-3-yloxy)-2-(pyridin-3-ylmethyl)quinuclidineMol. Formula:
C22H23N3OM.W.:
345.45Type:
---AlogP:
3.71Polar Surface Area:
38.25HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
2.95Polar Surface Area:
66.93HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
---AlogP:
4.10Polar Surface Area:
66.93HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA5269589
Name:
(trans)-2-(pyridin-3-ylmethyl)-3-(quinolin-2-yloxy)quinuclidineMol. Formula:
C22H23N3OM.W.:
345.45Type:
---AlogP:
3.71Polar Surface Area:
38.25HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
4.10Polar Surface Area:
66.93HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA5197631
Name:
(S)-(E)-1-methyl-2-(4-stilbenoxymethyl)pyrrolidinium iodideMol. Formula:
C21H26INOM.W.:
435.35Type:
---AlogP:
4.47Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5205894
Name:
(E)-4-(2-(N,N-dibenzyl, N-methylammonium)ethyloxy)stilbene iodideMol. Formula:
C32H34INOM.W.:
575.53Type:
---AlogP:
7.47Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA5202770
Name:
(+/-)-(E)-4-(3-(N,N-dimethyl-pyrrolidiniumoxy)stilbene iodideMol. Formula:
C20H24INOM.W.:
421.32Type:
---AlogP:
4.08Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA5201239
Name:
(S)-(E)-4-(3-(N,N-dimethyl-pyrrolidiniumoxy)stilbene iodideMol. Formula:
C20H24INOM.W.:
421.32Type:
---AlogP:
4.08Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA5200914
Name:
(R)-(E)-1-methyl-2-(4-stilbenoxymethyl)pyrrolidinium iodideMol. Formula:
C21H26INOM.W.:
435.35Type:
---AlogP:
4.47Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5208202
Name:
(E)-4-(2-(N,N-dicyclohexyl-N-methyl)ammoniumethyloxy)stilbene iodideMol. Formula:
C29H40INOM.W.:
545.55Type:
---AlogP:
7.35Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS
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