Type:
Small moleculeAlogP:
4.21Polar Surface Area:
57.15HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS
Type:
Small moleculeAlogP:
4.30Polar Surface Area:
58.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS
Type:
Small moleculeAlogP:
6.55Polar Surface Area:
93.06HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.22DETAILS
ALA3290439Name:
(E)-1,5-bis(4-hydroxy-3-methoxyphenyl)pent-4-ene-1,3-dioneMol. Formula:
C19H18O6M.W.:
342.35Type:
Small moleculeAlogP:
2.97Polar Surface Area:
93.06HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS
ALA3290196Name:
2-[3-(4-Pyrrolidin-1-yl-phenyl)-acryloyl]-3,4-dihydro-2Hnaphthalen-1-oneMol. Formula:
C23H23NO2M.W.:
345.44Type:
Small moleculeAlogP:
4.31Polar Surface Area:
37.38HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS- ALA3290195
Name:
2-(4-Pyrrolidin-1-yl-benzylidene)-3,4-dihydro-2Hnaphthalen-1-oneMol. Formula:
C21H21NOM.W.:
303.41Type:
Small moleculeAlogP:
4.50Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
4.11Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA3290193
Name:
2,5-Bis-(4-pyrrolidin-1-yl-benzylidene)-cyclopentanoneMol. Formula:
C27H30N2OM.W.:
398.55Type:
Small moleculeAlogP:
5.72Polar Surface Area:
23.55HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3290192
Name:
1,5-Bis-(4-pyrrolidin-1-yl-phenyl)-penta-1,4-dien-3-oneMol. Formula:
C25H28N2OM.W.:
372.51Type:
Small moleculeAlogP:
5.18Polar Surface Area:
23.55HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA3290191
Name:
1-Benzyl-3,5-Bis-(4-pyrrolidin-1-yl-benzylidene)-piperidin-4-oneMol. Formula:
C34H37N3OM.W.:
503.69Type:
Small moleculeAlogP:
6.44Polar Surface Area:
26.79HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA3290190
Name:
1-Methyl-3,5-bis[4-(pyrrolidinyl)benzylidene]piperidin-4-oneMol. Formula:
C28H33N3OM.W.:
427.59Type:
Small moleculeAlogP:
4.87Polar Surface Area:
26.79HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA3290189
Name:
3,5-Bis-(4-pyrrolidin-1-yl-benzylidene)-piperidin-4-oneMol. Formula:
C27H31N3OM.W.:
413.57Type:
Small moleculeAlogP:
4.53Polar Surface Area:
35.58HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA3290188
Name:
3,5-Bis-(4-pyrrolidin-1-yl-benzylidene)-tetrahydro-pyran-4-oneMol. Formula:
C27H30N2O2M.W.:
414.55Type:
Small moleculeAlogP:
4.95Polar Surface Area:
32.78HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA3290187
Name:
2,6-Bis-(4-pyrrolidin-1-yl-benzylidene)-cyclohexanoneMol. Formula:
C28H32N2OM.W.:
412.58Type:
Small moleculeAlogP:
6.11Polar Surface Area:
23.55HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA3290186
Name:
(1E,4E)-1,5-Bis(3-fluoro-4-hydroxy-5-methoxyphenyl)penta-1,4-dien-3-oneMol. Formula:
C19H16F2O5M.W.:
362.33Type:
Small moleculeAlogP:
3.69Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
3.65Polar Surface Area:
93.06HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
3.78Polar Surface Area:
37.38HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3289942
Name:
2-(4-Dimethylamino-2-nitro-benzylidene)-3,4-dihydro-2Hnaphthalen-1-oneMol. Formula:
C19H18N2O3M.W.:
322.36Type:
Small moleculeAlogP:
3.87Polar Surface Area:
63.45HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA3289941
Name:
2-(4-Dimethylamino-2-nitro-benzylidene)-indan-1-oneMol. Formula:
C18H16N2O3M.W.:
308.34Type:
Small moleculeAlogP:
3.48Polar Surface Area:
63.45HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA3289940
Name:
2,5-Bis-(4-dimethylamino-2-nitro-benzylidene)-cyclopentanoneMol. Formula:
C23H24N4O5M.W.:
436.47Type:
Small moleculeAlogP:
4.46Polar Surface Area:
109.83HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS
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