Type:
Small moleculeAlogP:
3.22Polar Surface Area:
143.34HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS
ALA317660Name:
3-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-ylmethylene)-1,3-dihydro-indol-2-oneMol. Formula:
C17H18N2OM.W.:
266.34Type:
Small moleculeAlogP:
3.69Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA104908Name:
3-(3,4-Dimethyl-1H-pyrrol-2-ylmethylene)-1,3-dihydro-indol-2-oneMol. Formula:
C15H14N2OM.W.:
238.29Type:
Small moleculeAlogP:
3.12Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA105739Name:
3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-1,3-dihydro-indol-2-oneMol. Formula:
C15H14N2OM.W.:
238.29Type:
Small moleculeAlogP:
3.12Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA104330Name:
3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-6-fluoro-1,3-dihydro-indol-2-oneMol. Formula:
C15H13FN2OM.W.:
256.28Type:
Small moleculeAlogP:
3.26Polar Surface Area:
44.89HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS-
Type:
Small moleculeAlogP:
2.99Polar Surface Area:
71.19HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA321359
Name:
3-(1-Methyl-1H-pyrrol-2-ylmethylene)-1,3-dihydro-indol-2-oneMol. Formula:
C14H12N2OM.W.:
224.26Type:
Small moleculeAlogP:
2.52Polar Surface Area:
34.03HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.74DETAILS - ALA100955
Name:
3-(4-Bromo-thiophen-2-ylmethylene)-1,3-dihydro-indol-2-oneMol. Formula:
C13H8BrNOSM.W.:
306.18Type:
Small moleculeAlogP:
4.00Polar Surface Area:
29.10HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA441641
Name:
3-(5-Methylsulfanyl-thiophen-2-ylmethylene)-1,3-dihydro-indol-2-oneMol. Formula:
C14H11NOS2M.W.:
273.38Type:
Small moleculeAlogP:
3.96Polar Surface Area:
29.10HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA101022
Name:
3-(5-Ethyl-thiophen-2-ylmethylene)-1,3-dihydro-indol-2-oneMol. Formula:
C15H13NOSM.W.:
255.34Type:
Small moleculeAlogP:
3.80Polar Surface Area:
29.10HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA418799
Name:
3-(4-Piperidin-1-yl-benzylidene)-1,3-dihydro-indol-2-oneMol. Formula:
C20H20N2OM.W.:
304.39Type:
Small moleculeAlogP:
4.17Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA321797
Name:
3-(4-Morpholin-4-yl-benzylidene)-1,3-dihydro-indol-2-oneMol. Formula:
C19H18N2O2M.W.:
306.37Type:
Small moleculeAlogP:
3.02Polar Surface Area:
41.57HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA102770
Name:
3-(4-Pyrrolidin-1-yl-benzylidene)-1,3-dihydro-indol-2-oneMol. Formula:
C19H18N2OM.W.:
290.37Type:
Small moleculeAlogP:
3.78Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA103307
Name:
3-(4-Hydroxy-benzylidene)-1,3-dihydro-indol-2-oneMol. Formula:
C15H11NO2M.W.:
237.26Type:
Small moleculeAlogP:
2.88Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.75DETAILS - ALA318303
Name:
3-(4-Dihydroxymethyl-benzylidene)-1,3-dihydro-indol-2-oneMol. Formula:
C16H13NO3M.W.:
267.28Type:
Small moleculeAlogP:
2.16Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA323572
Name:
3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1,3-dihydro-indol-2-oneMol. Formula:
C23H27NO2M.W.:
349.47Type:
Small moleculeAlogP:
5.48Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA319859
Name:
3-(4-Bromo-benzylidene)-1-methyl-1,3-dihydro-indol-2-oneMol. Formula:
C16H12BrNOM.W.:
314.18Type:
Small moleculeAlogP:
3.97Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
2.06Polar Surface Area:
85.35HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
2.06Polar Surface Area:
85.35HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA323133
Name:
3-(4-Dimethylamino-benzylidene)-1-methyl-1,3-dihydro-indol-2-oneMol. Formula:
C18H18N2OM.W.:
278.36Type:
Small moleculeAlogP:
3.27Polar Surface Area:
23.55HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS
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