(Z)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-phenylprop-2-enamide

Formula:C18H17N3O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-phenylprop-2-enamide is a drug-like molecule.

MolName(Z)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-phenylprop-2-enamide
MolecularFormulaC18H17N3O3
SmilesN#C/C(/C(Nc1ccccc1)=O)=C/c1ccc(N2CCOCC2)o1
InChIInChI=1S/C18H17N3O3/c19-13-14(18(22)20-15-4-2-1-3-5-15)12-16-6-7-17(24-16)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,20,22)
InChIKMRJVKMKVLJMDFK-UHFFFAOYSA-N
TotalMolweight323.351
Molweight323.351
MonoisotopicMass323.126992
CLogP2.1974
CLogS-4.08
H Acceptors6
H Donors1
TotalSurfaceArea260.18
Relative PSA0.25259
PolarSurfaceArea78.5
Druglikeness0.34808
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.625
Fragments1
Non HAtoms24
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms5
Symmetricatoms4
Amides1
StereoCon

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