Type:
Small moleculeAlogP:
0.61Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.58DETAILS
ALA1209654Name:
1-pentyl-1-(4-(3,4,5-trimethoxyphenyl)but-3-ynyl)piperidiniumMol. Formula:
C23H36ClNO3M.W.:
410.00Type:
Small moleculeAlogP:
4.64Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA1209653Name:
N,N,N-triethyl-4-(3,4,5-trimethoxyphenyl)but-3-yn-1-aminiumMol. Formula:
C19H30ClNO3M.W.:
355.91Type:
Small moleculeAlogP:
3.33Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.54DETAILS
3-Carbamyl-1-methylpyridinium ChlorideName:
3-carbamoyl-1-methylpyridiniumMol. Formula:
C7H9ClN2OM.W.:
172.62Type:
Small moleculeAlogP:
-0.39Polar Surface Area:
46.97HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
0.32Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.36DETAILS- ALA1209650
Name:
3-hydroxy-1,2-dimethyl-1-azoniabicyclo[2.2.2]octaneMol. Formula:
C9H18ClNOM.W.:
191.70Type:
Small moleculeAlogP:
0.61Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
0.36Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
1.10Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
1.25Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
0.43Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
2.01Polar Surface Area:
12.89HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.51DETAILS - ALA1209579
Name:
1-octyl-1-(4-(3,4,5-trimethoxyphenyl)but-3-ynyl)piperidiniumMol. Formula:
C26H42ClNO3M.W.:
452.08Type:
Small moleculeAlogP:
5.82Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA1209578
Name:
1-ethyl-1-(4-(3,4,5-trimethoxyphenyl)but-3-ynyl)pyrrolidiniumMol. Formula:
C19H28ClNO3M.W.:
353.89Type:
Small moleculeAlogP:
3.08Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA1209577
Name:
1-ethyl-1-(4-(3,4,5-trimethoxyphenyl)but-3-ynyl)piperidiniumMol. Formula:
C20H30ClNO3M.W.:
367.92Type:
Small moleculeAlogP:
3.47Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA1209508
Name:
1-(4-(3,4,5-trimethoxyphenyl)but-3-ynyl)-1-azoniabicyclo[2.2.2]octaneMol. Formula:
C20H28ClNO3M.W.:
365.90Type:
Small moleculeAlogP:
3.08Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA1209507
Name:
1-(4-(3,4,5-trimethoxyphenyl)but-3-ynyl)-1-azoniabicyclo[2.2.1]heptaneMol. Formula:
C19H26ClNO3M.W.:
351.87Type:
Small moleculeAlogP:
2.69Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA1209506
Name:
N,N,N-trimethyl-4-(3,4,5-trimethoxyphenyl)but-3-yn-1-aminiumMol. Formula:
C16H24ClNO3M.W.:
313.83Type:
Small moleculeAlogP:
2.16Polar Surface Area:
27.69HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
0.65Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA1209504
Name:
3-methoxy-N,N,N-trimethyl-3-oxopropan-1-aminiumMol. Formula:
C7H16ClNO2M.W.:
181.66Type:
Small moleculeAlogP:
0.26Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
0.65Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS
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