N-[(Z)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C18H17N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolNameN-[(Z)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormulaC18H17N3O6
Smiles[O-][N+](c1ccc(/C=C(/C(N2CCOCC2)=O)\NC(c2ccco2)=O)cc1)=O
InChIInChI=1S/C18H17N3O6/c22-17(16-2-1-9-27-16)19-15(18(23)20-7-10-26-11-8-20)12-13-3-5-14(6-4-13)21(24)25/h1-6,9,12H,7-8,10-11H2,(H,19,22)
InChIKSVAJHNUFWYCBSS-UHFFFAOYSA-N
TotalMolweight371.348
Molweight371.348
MonoisotopicMass371.111737
CLogP1.2177
CLogS-3.213
H Acceptors9
H Donors1
TotalSurfaceArea279.89
Relative PSA0.34163
PolarSurfaceArea117.6
Druglikeness-0.26593
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.48148
Fragments1
Non HAtoms27
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms6
Symmetricatoms4
Amides2
AcidicOxygens1
StereoCon

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