Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA5181544Name:
(1R,2S,3R,4S)-3-((dimethylamino)methyl)-1-phenylbicyclo[2.2.1]heptan-2-olMol. Formula:
C16H23NOM.W.:
245.37Type:
---AlogP:
2.28Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.88DETAILS
Deferasirox methyl esterName:
methyl 4-(3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)benzoateMol. Formula:
C22H17N3O4M.W.:
387.39Type:
---AlogP:
3.80Polar Surface Area:
97.47HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA5171658Name:
3,4,6-trihydroxy-5-oxo-1-phenyl-5H-benzo[7]annulene-8-carboxylic acidMol. Formula:
C18H12O6M.W.:
324.29Type:
---AlogP:
2.68Polar Surface Area:
115.06HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS- ALA5170689
Name:
tert-butyl (benzo[b]tellurophen-2-ylmethyl)carbamateMol. Formula:
C14H17NO2TeM.W.:
358.90Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5169996
Name:
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenolMol. Formula:
C20H15N3O2M.W.:
329.36Type:
---AlogP:
4.01Polar Surface Area:
71.17HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4212908
Name:
(2S,3R)-3-((dimethylamino)methyl)-1-phenylbicyclo[2.2.1]heptan-2-olMol. Formula:
C16H23NOM.W.:
245.37Type:
Small moleculeAlogP:
2.28Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.88DETAILS - ALA4208145
Name:
3-((dimethylamino)methyl)-1-phenylbicyclo[2.2.1]heptan-2-olMol. Formula:
C16H23NOM.W.:
245.37Type:
Small moleculeAlogP:
2.28Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4204908
Name:
(2R,3S)-3-((dimethylamino)methyl)-1-phenylbicyclo[2.2.1]heptan-2-olMol. Formula:
C16H23NOM.W.:
245.37Type:
Small moleculeAlogP:
2.28Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
2.38Polar Surface Area:
85.08HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - Tetrazole-5-acetohydrazide
Name:
2-(1H-tetrazol-5-yl)acetohydrazideMol. Formula:
C3H6N6OM.W.:
142.12Type:
Small moleculeAlogP:
-2.27Polar Surface Area:
109.58HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
4.55Polar Surface Area:
76.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS - NCGC00247743
Name:
N-(6-(dimethylamino)hexyl)-3-(8-hydroxyquinolin-6-yl)benzamideMol. Formula:
C24H29N3O2M.W.:
391.52Type:
Small moleculeAlogP:
4.46Polar Surface Area:
65.46HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.53DETAILS - NCGC00244536
Name:
3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamideMol. Formula:
C25H22N2O2M.W.:
382.46Type:
Small moleculeAlogP:
4.97Polar Surface Area:
62.22HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
4.46Polar Surface Area:
59.42HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.94Polar Surface Area:
79.70HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
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