Type:
---AlogP:
1.32Polar Surface Area:
115.13HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS
ALA5284694Name:
N-dodecyl-N-(2-hydroxyethyl)morpholinium bromideMol. Formula:
C18H38BrNO2M.W.:
380.41Type:
---AlogP:
3.75Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
3.00Polar Surface Area:
122.00HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS
Type:
---AlogP:
3.96Polar Surface Area:
290.68HBA:
19HBD:
6#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.14DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
UnknownAlogP:
6.48Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5091934
Name:
N-(2'-Methoxyphenyl)-3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-amideMol. Formula:
C31H47NO4M.W.:
497.72Type:
UnknownAlogP:
6.04Polar Surface Area:
78.79HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5090012
Name:
N-(3'-Fluorophenyl)-3-alpha,7-alpha-dihydroxy-5-beta-cholan-24-amideMol. Formula:
C30H44FNO3M.W.:
485.68Type:
UnknownAlogP:
6.17Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA5088991
Name:
N-(Phenyl)-3-alpha,hydroxy-5-beta-cholan-24-amideMol. Formula:
C30H45NO2M.W.:
451.70Type:
UnknownAlogP:
7.06Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA5086115
Name:
N-(2'-Methoxyphenyl)-3-alpha,hydroxy-5-beta-cholan-24-amideMol. Formula:
C31H47NO3M.W.:
481.72Type:
UnknownAlogP:
7.07Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
6.48Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5083443
Name:
N-(3'-Fluorophenyl)-3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-amideMol. Formula:
C30H44FNO3M.W.:
485.68Type:
UnknownAlogP:
6.17Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA5083310
Name:
N-(3'-Fluorophenyl)-3-alpha,hydroxy-5-beta-cholan-24-amideMol. Formula:
C30H44FNO2M.W.:
469.69Type:
UnknownAlogP:
7.20Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA5079984
Name:
N-(2'-Methoxyphenyl)-3-alpha,7-beta-dihydroxy-5-beta-cholan-24-amideMol. Formula:
C31H47NO4M.W.:
497.72Type:
UnknownAlogP:
6.04Polar Surface Area:
78.79HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5077741
Name:
N-(Phenyl)-3-alpha,7-alpha-dihydroxy-5-beta-cholan-24-amideMol. Formula:
C30H45NO3M.W.:
467.69Type:
UnknownAlogP:
6.03Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
UnknownAlogP:
6.48Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5074690
Name:
N-(Phenyl)-3-alpha,7-beta-dihydroxy-5-beta-cholan-24-amideMol. Formula:
C30H45NO3M.W.:
467.69Type:
UnknownAlogP:
6.03Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA5073050
Name:
N-(2'-Methyl-5'-fluorophenyl)-3-alpha,hydroxy-5-beta-cholan-24-amideMol. Formula:
C31H46FNO2M.W.:
483.71Type:
UnknownAlogP:
7.51Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA5070364
Name:
N-(2'-Methoxyphenyl)-3-alpha,7-alpha-dihydroxy-5-beta-cholan-24-amideMol. Formula:
C31H47NO4M.W.:
497.72Type:
UnknownAlogP:
6.04Polar Surface Area:
78.79HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5070066
Name:
N-(3'-Fluorophenyl)-3-alpha,7-beta-dihydroxy-5-beta-cholan-24-amideMol. Formula:
C30H44FNO3M.W.:
485.68Type:
UnknownAlogP:
6.17Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS
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