ALA4878165Name:
N,N'-(4,4'-methylenebis(2-methyl-4,1-phenylene))dithiophene-2-carboxamideMol. Formula:
C25H22N2O2S2M.W.:
446.60Type:
UnknownAlogP:
6.52Polar Surface Area:
58.20HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA4875290Name:
1-(2-fluoro-4-nitro-5-(4-(phenylsulfonyl)piperazin-1-yl)phenyl)azepaneMol. Formula:
C22H27FN4O4SM.W.:
462.55Type:
UnknownAlogP:
3.63Polar Surface Area:
87.00HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
UnknownAlogP:
5.17Polar Surface Area:
55.40HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA4872245Name:
1-(3-fluoro-4-(4-(4-fluorobenzoyl)piperazin-1-yl)phenyl)ethanoneMol. Formula:
C19H18F2N2O2M.W.:
344.36Type:
UnknownAlogP:
3.13Polar Surface Area:
40.62HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA4869541Name:
N'-(5-bromo-2-hydroxybenzylidene)-2,5-dimethylfuran-3-carbohydrazideMol. Formula:
C14H13BrN2O3M.W.:
337.17Type:
UnknownAlogP:
3.13Polar Surface Area:
74.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS- ALA4868780
Name:
1-(4-fluoro-2-nitro-5-(piperidin-1-yl)phenyl)-4-(phenylsulfonyl)piperazineMol. Formula:
C21H25FN4O4SM.W.:
448.52Type:
UnknownAlogP:
3.24Polar Surface Area:
87.00HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4867113
Name:
1-(4-(4-fluoro-2-nitro-5-(piperidin-1-yl)phenyl)piperazin-1-yl)ethanoneMol. Formula:
C17H23FN4O3M.W.:
350.39Type:
UnknownAlogP:
2.39Polar Surface Area:
69.93HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4867042
Name:
2-methyl-5-(4-(phenylamino)phthalazin-1-yl)benzenesulfonamideMol. Formula:
C21H18N4O2SM.W.:
390.47Type:
UnknownAlogP:
4.00Polar Surface Area:
97.97HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
3.37Polar Surface Area:
37.20HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
4.59Polar Surface Area:
55.40HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4865459
Name:
10-(pyridin-4-yl)-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H)-dioneMol. Formula:
C21H16N2O2M.W.:
328.37Type:
UnknownAlogP:
3.38Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
UnknownAlogP:
4.39Polar Surface Area:
55.40HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
UnknownAlogP:
4.79Polar Surface Area:
64.63HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
3.39Polar Surface Area:
79.16HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
3.69Polar Surface Area:
69.93HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
4.35Polar Surface Area:
85.09HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
4.13Polar Surface Area:
46.17HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
UnknownAlogP:
4.39Polar Surface Area:
55.40HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
UnknownAlogP:
3.95Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
UnknownAlogP:
3.39Polar Surface Area:
80.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS
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