[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate

Formula:C15H18NO4I Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(5-iodofuran-2-yl)prop-2-enoate
MolecularFormula	C15H18NO4I
Smiles	O=C(COC(/C=C/c(o1)ccc1I)=O)NC1CCCCC1
InChI	InChI=1S/C15H18INO4/c16-13-8-6-12(21-13)7-9-15(19)20-10-14(18)17-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,17,18)
InChIK	QIXIILMCZYXYRG-UHFFFAOYSA-N
TotalMolweight	403.211
Molweight	403.211
MonoisotopicMass	403.028057
CLogP	2.2644
CLogS	-3.929
H Acceptors	5
H Donors	1
TotalSurfaceArea	254.25
Relative PSA	0.24248
PolarSurfaceArea	68.54
Druglikeness	-2.2264
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	8
Symmetricatoms	2
Amides	1
StereoCon

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