[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C19H18NO4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C19H18NO4Br
Smiles	O=C(COC(/C=C/c(o1)ccc1Br)=O)N[C@H](CCC1)c2c1cccc2
InChI	InChI=1S/C19H18BrNO4/c20-17-10-8-14(25-17)9-11-19(23)24-12-18(22)21-16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,8-11,16H,3,5,7,12H2,(H,21,22)/t16-/m1/s1
InChIK	ZYCHEDIJNXPQID-MRXNPFEDSA-N
TotalMolweight	404.259
Molweight	404.259
MonoisotopicMass	403.04192
CLogP	3.443
CLogS	-4.156
H Acceptors	5
H Donors	1
TotalSurfaceArea	278.84
Relative PSA	0.22109
PolarSurfaceArea	68.54
Druglikeness	-3.8591
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Amides	1
StereoCon	this enantiomer

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1 - [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate | 2 - [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

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