N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C22H18N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolNameN-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormulaC22H18N2O5
SmilesO=C(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)NCc1ccco1
InChIInChI=1S/C22H18N2O5/c25-21(16-5-2-1-3-6-16)24-18(22(26)23-13-17-7-4-10-27-17)11-15-8-9-19-20(12-15)29-14-28-19/h1-12H,13-14H2,(H,23,26)(H,24,25)
InChIKPKLUMUVCMNPGGZ-UHFFFAOYSA-N
TotalMolweight390.394
Molweight390.394
MonoisotopicMass390.121573
CLogP3.4333
CLogS-5.082
H Acceptors7
H Donors2
TotalSurfaceArea299.62
Relative PSA0.27738
PolarSurfaceArea89.8
Druglikeness3.112
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.44828
Fragments1
Non HAtoms29
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Symmetricatoms2
Amides2
StereoCon

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