(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide

Formula:C24H17N3O4F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide is a drug-like molecule.

MolName(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-nitrophenyl]prop-2-enamide
MolecularFormulaC24H17N3O4F2
Smiles[O-][N+](c(ccc(NC(/C=C/c(cc1)ccc1F)=O)c1)c1NC(/C=C/c(cc1)ccc1F)=O)=O
InChIInChI=1S/C24H17F2N3O4/c25-18-7-1-16(2-8-18)5-13-23(30)27-20-11-12-22(29(32)33)21(15-20)28-24(31)14-6-17-3-9-19(26)10-4-17/h1-15H,(H,27,30)(H,28,31)
InChIKXUTHNGDDEMOFKM-UHFFFAOYSA-N
TotalMolweight449.412
Molweight449.412
MonoisotopicMass449.118713
CLogP3.893
CLogS-6.468
H Acceptors7
H Donors2
TotalSurfaceArea340.57
Relative PSA0.2332
PolarSurfaceArea104.02
Druglikeness-6.8783
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.63636
Fragments1
Non HAtoms33
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms1
Symmetricatoms4
Amides2
AcidicOxygens1
StereoCon

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