3-[5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid

Formula:C23H18N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:low 3-[5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid is a drug-like molecule.

MolName	3-[5-[(E)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid
MolecularFormula	C23H18N2O5
Smiles	Cc(c(-c1ccc(/C=C(/C(Nc(cc2)ccc2OC)=O)\C#N)o1)ccc1)c1C(O)=O
InChI	InChI=1S/C23H18N2O5/c1-14-19(4-3-5-20(14)23(27)28)21-11-10-18(30-21)12-15(13-24)22(26)25-16-6-8-17(29-2)9-7-16/h3-12H,1-2H3,(H,25,26)(H,27,28)/b15-12+
InChIK	VSOMJJOPDUKDHW-NTCAYCPXSA-N
TotalMolweight	402.405
Molweight	402.405
MonoisotopicMass	402.121573
CLogP	3.6862
CLogS	-5.605
H Acceptors	7
H Donors	2
TotalSurfaceArea	316.72
Relative PSA	0.27883
PolarSurfaceArea	112.56
Druglikeness	-0.74762
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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