ALA5286796Name:
2-chloro-3-(cyclohexylamino)-5-phenyl-2,3-dihydro-1H-inden-1-oneMol. Formula:
C21H22ClNOM.W.:
339.87Type:
---AlogP:
5.12Polar Surface Area:
29.10HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA5288450Name:
1-(5-fluoro-1H-benzo[d]imidazol-2-yl)-3-methyl-4-phenyl-1H-pyrazol-5-olMol. Formula:
C17H13FN4OM.W.:
308.32Type:
---AlogP:
3.57Polar Surface Area:
66.73HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA4249595Name:
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1H-inden-1-oneMol. Formula:
C25H22O4M.W.:
386.45Type:
Small moleculeAlogP:
5.18Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
5.15Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA4248609Name:
2,3-bis(3,4-dimethoxyphenyl)-5-phenyl-1H-inden-1-oneMol. Formula:
C31H26O5M.W.:
478.54Type:
Small moleculeAlogP:
6.54Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS-
Type:
Small moleculeAlogP:
4.65Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4247120
Name:
2-bromo-3-(3,4-dimethoxyphenyl)-5-methyl-1H-inden-1-oneMol. Formula:
C18H15BrO3M.W.:
359.22Type:
Small moleculeAlogP:
4.36Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
5.77Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA4246825
Name:
2-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-methyl-1H-inden-1-oneMol. Formula:
C25H22O4M.W.:
386.45Type:
Small moleculeAlogP:
5.18Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
5.17Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4246251
Name:
2-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-p-tolyl-1H-inden-1-oneMol. Formula:
C31H26O4M.W.:
462.55Type:
Small moleculeAlogP:
6.84Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4246014
Name:
2,3-bis(3,4-dichlorophenyl)-5-methyl-1H-inden-1-oneMol. Formula:
C22H12Cl4OM.W.:
434.15Type:
Small moleculeAlogP:
7.76Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
6.51Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4244786
Name:
2-bromo-3-(4-methoxyphenyl)-5-methyl-1H-inden-1-oneMol. Formula:
C17H13BrO2M.W.:
329.19Type:
Small moleculeAlogP:
4.35Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA4243556
Name:
2-chloro-3-(4-methoxyphenyl)-5-methyl-1H-inden-1-oneMol. Formula:
C17H13ClO2M.W.:
284.74Type:
Small moleculeAlogP:
4.20Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4243364
Name:
2-bromo-3-(3,5-dimethoxyphenyl)-5-methyl-1H-inden-1-oneMol. Formula:
C18H15BrO3M.W.:
359.22Type:
Small moleculeAlogP:
4.36Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA4243033
Name:
2,3-bis(3,4-dimethoxyphenyl)-5-methyl-1H-inden-1-oneMol. Formula:
C26H24O5M.W.:
416.47Type:
Small moleculeAlogP:
5.18Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4242575
Name:
2-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-phenyl-1H-inden-1-oneMol. Formula:
C30H24O4M.W.:
448.52Type:
Small moleculeAlogP:
6.53Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4242283
Name:
2,3-bis(3-methoxyphenyl)-5-p-tolyl-1H-inden-1-oneMol. Formula:
C30H24O3M.W.:
432.52Type:
Small moleculeAlogP:
6.83Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
6.53Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS
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