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

Formula:C19H18N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolNameN-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormulaC19H18N2O5
SmilesOCCNC(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)=O
InChIInChI=1S/C19H18N2O5/c22-9-8-20-19(24)15(21-18(23)14-4-2-1-3-5-14)10-13-6-7-16-17(11-13)26-12-25-16/h1-7,10-11,22H,8-9,12H2,(H,20,24)(H,21,23)
InChIKNVZKZKYPLBMRCD-UHFFFAOYSA-N
TotalMolweight354.361
Molweight354.361
MonoisotopicMass354.121573
CLogP2.3061
CLogS-3.87
H Acceptors7
H Donors3
TotalSurfaceArea270.28
Relative PSA0.30376
PolarSurfaceArea96.89
Druglikeness3.4131
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms2
Amides2
StereoCon

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