[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C17H20NO4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C17H20NO4Br
Smiles	O=C(COC(/C=C/c(o1)ccc1Br)=O)NCCC1=CCCCC1
InChI	InChI=1S/C17H20BrNO4/c18-15-8-6-14(23-15)7-9-17(21)22-12-16(20)19-11-10-13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12H2,(H,19,20)
InChIK	UYDLWBKCBVIKRG-UHFFFAOYSA-N
TotalMolweight	382.253
Molweight	382.253
MonoisotopicMass	381.05757
CLogP	3.0971
CLogS	-3.805
H Acceptors	5
H Donors	1
TotalSurfaceArea	272.57
Relative PSA	0.22618
PolarSurfaceArea	68.54
Druglikeness	-7.3082
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73913
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	8
Amides	1
StereoCon

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