ALA3337751Name:
5,6-Dimethoxy-2-methylene-2,3-dihydro-1H-inden-1-oneMol. Formula:
C12H12O3M.W.:
204.22Type:
Small moleculeAlogP:
2.00Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
1.99Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
2.74Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.62DETAILS
Type:
Small moleculeAlogP:
2.64Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.53DETAILS-
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
1.62Polar Surface Area:
38.77HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA3337744
Name:
2-((Dimethylamino)methyl)-6-methoxy-2,3-dihydro-1H-inden-one hydrochlorideMol. Formula:
C13H18ClNO2M.W.:
255.75Type:
Small moleculeAlogP:
1.61Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.77DETAILS - ALA3337743
Name:
2-((Dimethylamino)methyl)-5-methoxy-2,3-dihydro-1H-inden-one hydrochlorideMol. Formula:
C13H18ClNO2M.W.:
255.75Type:
Small moleculeAlogP:
1.61Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.77DETAILS - ALA3337742
Name:
5-Bromo-2-((dimethylamino)methyl)-2,3-dihydro-1H-inden-1-one hydrochlorideMol. Formula:
C12H15BrClNOM.W.:
304.62Type:
Small moleculeAlogP:
2.37Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.82DETAILS - ALA3337741
Name:
5-Chloro-((Dimethylamino)methyl)-2,3-dihydro-1H-inden-1-one hydrochlorideMol. Formula:
C12H15Cl2NOM.W.:
260.16Type:
Small moleculeAlogP:
2.26Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.77DETAILS - ALA3337740
Name:
2-((Dimethylamino)methyl)-2-methyl-2,3-dihydro-1H-inden-1-one hydrochlorideMol. Formula:
C13H18ClNOM.W.:
239.75Type:
Small moleculeAlogP:
1.99Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.73DETAILS - ALA3337739
Name:
2-((Dimethylamino)methyl)-6-methyl-2,3-dihydro-1H-inden-1-one hydrochlorideMol. Formula:
C13H18ClNOM.W.:
239.75Type:
Small moleculeAlogP:
1.91Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.73DETAILS - ALA3337738
Name:
2-((Dimethylamino)methyl)-5-methyl-2,3-dihydro-1H-inden-1-one hydrochlorideMol. Formula:
C13H18ClNOM.W.:
239.75Type:
Small moleculeAlogP:
1.91Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
2.62Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.81DETAILS - ALA3337736
Name:
2-(Piperidin-1-ylmethyl)-2.3-dihydro-1H-inden-1-one hydrochlorideMol. Formula:
C15H20ClNOM.W.:
265.78Type:
Small moleculeAlogP:
2.53Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.78DETAILS - TER14687
Name:
2-((Dimethylamino)methyl)-2,3-dihydro-1H-inden-1-one hydrochlorideMol. Formula:
C12H16ClNOM.W.:
225.72Type:
Small moleculeAlogP:
1.60Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.70DETAILS - ALA3337637
Name:
2-((Dimethylamino)methyl)-1-phenylbutan-1-one hydrochlorideMol. Formula:
C13H20ClNOM.W.:
241.76Type:
Small moleculeAlogP:
2.46Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS - 3-(Dimethylamino)-1-(4-methoxyphenyl)-propan-1-one Hydrochloride
Name:
3-(Dimethylamino)-1-(4-methoxyphenyl)propan-1-one hydrochlorideMol. Formula:
C12H18ClNO2M.W.:
243.73Type:
Small moleculeAlogP:
1.83Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA3337635
Name:
1-(4-Methoxyphenyl)-3-(piperidin-1-yl)propan-1-one hydrochlorideMol. Formula:
C15H22ClNO2M.W.:
283.80Type:
Small moleculeAlogP:
2.75Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS
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