2-hydroxy-2,2-diphenyl-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide

Formula:C24H25N3O3 Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-hydroxy-2,2-diphenyl-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide is a drug-like molecule.

MolName2-hydroxy-2,2-diphenyl-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide
MolecularFormulaC24H25N3O3
SmilesOC(C(N/N=C\c1ccc(N2CCCCC2)o1)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25N3O3/c28-23(24(29,19-10-4-1-5-11-19)20-12-6-2-7-13-20)26-25-18-21-14-15-22(30-21)27-16-8-3-9-17-27/h1-2,4-7,10-15,18,29H,3,8-9,16-17H2,(H,26,28)
InChIKMFBNOVHQKIMWOR-UHFFFAOYSA-N
TotalMolweight403.481
Molweight403.481
MonoisotopicMass403.189592
CLogP3.855
CLogS-5.626
H Acceptors6
H Donors2
TotalSurfaceArea318.8
Relative PSA0.20944
PolarSurfaceArea78.07
Druglikeness7.0347
Mutagenichigh
Tumorigenichigh
Reproductive Effectivelow
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.53333
Fragments1
Non HAtoms30
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms7
Symmetricatoms10
StereoCon

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