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

Formula:C20H18N2O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	4-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
MolecularFormula	C20H18N2O4
Smiles	N#C/C(/C(NC1CCCC1)=O)=C\c1ccc(-c(cc2)ccc2C(O)=O)o1
InChI	InChI=1S/C20H18N2O4/c21-12-15(19(23)22-16-3-1-2-4-16)11-17-9-10-18(26-17)13-5-7-14(8-6-13)20(24)25/h5-11,16H,1-4H2,(H,22,23)(H,24,25)
InChIK	FPBPNWVGVVHEMU-UHFFFAOYSA-N
TotalMolweight	350.373
Molweight	350.373
MonoisotopicMass	350.126658
CLogP	2.9173
CLogS	-5.04
H Acceptors	6
H Donors	2
TotalSurfaceArea	276.48
Relative PSA	0.28324
PolarSurfaceArea	103.33
Druglikeness	-2.6382
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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