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

Formula:C21H20N2O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	2-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
MolecularFormula	C21H20N2O4
Smiles	N#C/C(/C(NC1CCCCC1)=O)=C\c1ccc(-c(cccc2)c2C(O)=O)o1
InChI	InChI=1S/C21H20N2O4/c22-13-14(20(24)23-15-6-2-1-3-7-15)12-16-10-11-19(27-16)17-8-4-5-9-18(17)21(25)26/h4-5,8-12,15H,1-3,6-7H2,(H,23,24)(H,25,26)
InChIK	SWSOPNCRJVUADU-UHFFFAOYSA-N
TotalMolweight	364.4
Molweight	364.4
MonoisotopicMass	364.142308
CLogP	3.2593
CLogS	-5.31
H Acceptors	6
H Donors	2
TotalSurfaceArea	290.24
Relative PSA	0.26981
PolarSurfaceArea	103.33
Druglikeness	-4.9128
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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