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(E)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide

Formula:C29H31N4O6F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide is not a drug-like molecule.
MolName(E)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
MolecularFormulaC29H31N4O6F
Smiles[O-][N+](c1ccc(/C=C/C(N(CCN2CCOCC2)CC(N(Cc2ccco2)Cc(cc2)ccc2F)=O)=O)cc1)=O
InChIInChI=1S/C29H31FN4O6/c30-25-8-3-24(4-9-25)20-33(21-27-2-1-17-40-27)29(36)22-32(14-13-31-15-18-39-19-16-31)28(35)12-7-23-5-10-26(11-6-23)34(37)38/h1-12,17H,13-16,18-22H2
InChIKOPXANHHBPAAHJF-UHFFFAOYSA-N
TotalMolweight550.585
Molweight550.585
MonoisotopicMass550.222764
CLogP0.9907
CLogS-3.626
H Acceptors10
TotalSurfaceArea425.73
Relative PSA0.21436
PolarSurfaceArea112.05
Druglikeness-4.1193
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.475
Fragments1
Non HAtoms40
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond12
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms12
Symmetricatoms6
Amides2
Amines1
AlkylAmines1
BasicNitrogens1
AcidicOxygens1
StereoCon

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