Type:
UnknownAlogP:
7.29Polar Surface Area:
76.62HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS
Type:
UnknownAlogP:
5.93Polar Surface Area:
70.29HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA4778346Name:
N-(4-methoxyphenyl)-N-methyl-2-(3-oxothiomorpholin-2-yl)acetamideMol. Formula:
C13H16N2O3SM.W.:
280.35Type:
UnknownAlogP:
0.89Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA4762833Name:
2-(3-Oxothiomorpholin-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamideMol. Formula:
C13H13F3N2O3SM.W.:
334.32Type:
UnknownAlogP:
2.15Polar Surface Area:
67.43HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS
ALA4740336Name:
2-(4-iodophenyl)imidazo[1,2-c]pyrimidin-5(6H)-oneMol. Formula:
C12H8IN3OM.W.:
337.12Type:
UnknownAlogP:
2.29Polar Surface Area:
50.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS- ALA4590482
Name:
2-(4-chloro-2-fluorophenylamino)-3,4-difluoro-N-(3-hydroxypropoxy)benzamideMol. Formula:
C16H14ClF3N2O3M.W.:
374.75Type:
UnknownAlogP:
3.54Polar Surface Area:
70.59HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4588064
Name:
3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(3-hydroxypropoxy)benzamideMol. Formula:
C16H14F3IN2O3M.W.:
466.20Type:
UnknownAlogP:
3.50Polar Surface Area:
70.59HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
UnknownAlogP:
2.69Polar Surface Area:
84.94HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA4530560
Name:
2-(4-bromo-2-fluorophenylamino)-3,4-difluoro-N-(3-hydroxypropoxy)benzamideMol. Formula:
C16H14BrF3N2O3M.W.:
419.20Type:
UnknownAlogP:
3.65Polar Surface Area:
70.59HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4443751
Name:
2-(2,4-difluorophenylamino)-3,4-difluoro-N-(3-hydroxypropoxy)benzamideMol. Formula:
C16H14F4N2O3M.W.:
358.29Type:
UnknownAlogP:
3.03Polar Surface Area:
70.59HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
83.73HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
3.07Polar Surface Area:
103.96HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
2.76Polar Surface Area:
79.82HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
3.07Polar Surface Area:
103.96HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
4.49Polar Surface Area:
83.73HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
3.57Polar Surface Area:
79.82HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
2.33Polar Surface Area:
90.82HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
2.33Polar Surface Area:
90.82HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS
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