N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(benzylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

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

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(benzylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C22H18N2O5
Smiles	O=C(/C(/NC(c1ccco1)=O)=C\c(cc1)cc2c1OCO2)NCc1ccccc1
InChI	InChI=1S/C22H18N2O5/c25-21(23-13-15-5-2-1-3-6-15)17(24-22(26)19-7-4-10-27-19)11-16-8-9-18-20(12-16)29-14-28-18/h1-12H,13-14H2,(H,23,25)(H,24,26)
InChIK	UPXLNAFGOOJYSS-UHFFFAOYSA-N
TotalMolweight	390.394
Molweight	390.394
MonoisotopicMass	390.121573
CLogP	3.4333
CLogS	-5.082
H Acceptors	7
H Donors	2
TotalSurfaceArea	299.62
Relative PSA	0.27738
PolarSurfaceArea	89.8
Druglikeness	3.2589
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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