Type:
Small moleculeAlogP:
5.58Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
Small moleculeAlogP:
5.44Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
6.26Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS
Type:
Small moleculeAlogP:
5.98Polar Surface Area:
26.30HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS
Type:
Small moleculeAlogP:
5.61Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS-
Type:
Small moleculeAlogP:
4.45Polar Surface Area:
81.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
5.14Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
5.52Polar Surface Area:
39.19HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.31DETAILS - Terodiline hydrochloride
Name:
tert-Butyl-(1-methyl-3,3-diphenyl-propyl)-amine hydrochlorideMol. Formula:
C20H28ClNM.W.:
317.90Type:
Small moleculeAlogP:
4.99Polar Surface Area:
12.03HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA409151
Name:
(R)-1-cycloheptyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenylprop-2-yn-1-olMol. Formula:
C24H33NO2M.W.:
367.53Type:
Small moleculeAlogP:
3.96Polar Surface Area:
32.70HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS - bethanechol
Name:
2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminiumMol. Formula:
C7H17N2O2+M.W.:
161.22Type:
Small moleculeAlogP:
0.18Polar Surface Area:
52.32HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.60DETAILS - ALA239436
Name:
1-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]piperidine methiodideMol. Formula:
C13H21IN2O2M.W.:
364.23Type:
Small moleculeAlogP:
1.37Polar Surface Area:
30.82HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.54DETAILS - ALA240764
Name:
quinuclidin-3-one O-[4-(isoxazol-3-yloxy)but-2-yn-1-yl]oxime methiodideMol. Formula:
C15H20IN3O3M.W.:
417.25Type:
Small moleculeAlogP:
1.30Polar Surface Area:
56.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
8.07Polar Surface Area:
100.72HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
7.87Polar Surface Area:
100.72HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
7.35Polar Surface Area:
83.14HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
6.96Polar Surface Area:
83.14HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
6.57Polar Surface Area:
83.14HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
6.18Polar Surface Area:
83.14HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
8.82Polar Surface Area:
66.58HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.06DETAILS
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