ALA550115Name:
2-(pyridin-4-ylmethylamino)-1-(4-tosylpiperazin-1-yl)ethanoneMol. Formula:
C19H24N4O3SM.W.:
388.49Type:
Small moleculeAlogP:
1.01Polar Surface Area:
82.61HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
Small moleculeAlogP:
4.21Polar Surface Area:
64.55HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
Small moleculeAlogP:
3.12Polar Surface Area:
74.68HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS
Type:
Small moleculeAlogP:
2.58Polar Surface Area:
99.00HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
Small moleculeAlogP:
3.61Polar Surface Area:
94.12HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS- ALA563051
Name:
1-(4-chlorophenyl)-2-(5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-ylthio)ethanoneMol. Formula:
C16H11ClN2O3SM.W.:
346.80Type:
Small moleculeAlogP:
4.07Polar Surface Area:
76.22HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA551268
Name:
N-benzyl-N-(4-phenylthiazol-2-yl)cyclopropanecarboxamideMol. Formula:
C20H18N2OSM.W.:
334.44Type:
Small moleculeAlogP:
4.75Polar Surface Area:
33.20HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA550865
Name:
2-(4-benzyl-5-(3-methylphenethyl)-4H-1,2,4-triazol-3-ylthio)acetic acidMol. Formula:
C20H21N3O2SM.W.:
367.47Type:
Small moleculeAlogP:
3.60Polar Surface Area:
68.01HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
5.22Polar Surface Area:
85.09HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
4.24Polar Surface Area:
71.53HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS
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