ALA5279887Name:
N1-[2-(4-phenoxyphenyl)ethyl]phthalazine-1,7-diamineMol. Formula:
C22H20N4OM.W.:
356.43Type:
---AlogP:
4.66Polar Surface Area:
73.06HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA5290179Name:
2',6'-diphenylspiro[chromane-3,1'-cyclohexane]-2,4,4'-trioneMol. Formula:
C26H20O4M.W.:
396.44Type:
---AlogP:
4.71Polar Surface Area:
60.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
---AlogP:
3.02Polar Surface Area:
108.36HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS
ALA5205213Name:
5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenethyl)-4H-chromen-4-oneMol. Formula:
C18H16O6M.W.:
328.32Type:
---AlogP:
2.70Polar Surface Area:
100.13HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
---AlogP:
3.29Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS- ALA5178145
Name:
6,7-dimethoxy-2-(4-methoxyphenethyl)-4H-chromen-4-oneMol. Formula:
C20H20O5M.W.:
340.38Type:
---AlogP:
3.60Polar Surface Area:
57.90HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
3.32Polar Surface Area:
112.77HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
5.11Polar Surface Area:
79.37HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4878937
Name:
1-(3-bromophenyl)-3-(2,3-diphenylquinoxalin-6-yl)ureaMol. Formula:
C27H19BrN4OM.W.:
495.38Type:
UnknownAlogP:
7.37Polar Surface Area:
66.91HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4877981
Name:
N-(4-(2,5-dimethylphenyl)thiazol-2-yl)-4-(piperidine-1-carbanyl)benzamideMol. Formula:
C24H25N3O2SM.W.:
419.55Type:
UnknownAlogP:
5.31Polar Surface Area:
62.30HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
UnknownAlogP:
5.70Polar Surface Area:
82.61HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
UnknownAlogP:
4.96Polar Surface Area:
18.46HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4877146
Name:
N-(4-(2,5-dimethylphenyl)thiazol-2-yl)-4-(piperazin-1-ylsulfonyl)benzamideMol. Formula:
C22H24N4O3S2M.W.:
456.59Type:
UnknownAlogP:
3.27Polar Surface Area:
91.40HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
UnknownAlogP:
5.11Polar Surface Area:
82.06HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA4876375
Name:
4-(piperidin-1-ylsulfonyl)-N-(4-(o-tolyl)thiazol-2-yl)benzamideMol. Formula:
C22H23N3O3S2M.W.:
441.58Type:
UnknownAlogP:
4.55Polar Surface Area:
79.37HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
UnknownAlogP:
4.86Polar Surface Area:
88.60HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4875854
Name:
N-(5-(2,5-dimethylphenyl)thiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamideMol. Formula:
C23H25N3O3S2M.W.:
455.61Type:
UnknownAlogP:
4.85Polar Surface Area:
79.37HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
4.44Polar Surface Area:
105.39HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
8.66Polar Surface Area:
88.13HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.08DETAILS - ALA4873918
Name:
4-(N-cyclohexylsulfamoyl)-N-(4-(2,5-dimethylphenyl)thiazol-2-yl)benzamideMol. Formula:
C24H27N3O3S2M.W.:
469.63Type:
UnknownAlogP:
5.29Polar Surface Area:
88.16HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS
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