(2-amino-2-oxoethyl) (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C22H16N2O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-amino-2-oxoethyl) (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	(2-amino-2-oxoethyl) (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C22H16N2O3ClF
Smiles	NC(COC(c1c(CC/C2=C\c(c(F)ccc3)c3Cl)c2nc2ccccc12)=O)=O
InChI	InChI=1S/C22H16ClFN2O3/c23-16-5-3-6-17(24)15(16)10-12-8-9-14-20(22(28)29-11-19(25)27)13-4-1-2-7-18(13)26-21(12)14/h1-7,10H,8-9,11H2,(H2,25,27)
InChIK	MXDIHUTZJJPYBT-UHFFFAOYSA-N
TotalMolweight	410.831
Molweight	410.831
MonoisotopicMass	410.083348
CLogP	3.6932
CLogS	-5.572
H Acceptors	5
H Donors	1
TotalSurfaceArea	294.66
Relative PSA	0.2115
PolarSurfaceArea	82.28
Druglikeness	-0.3556
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (2-amino-2-oxoethyl) (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - (2-amino-2-oxoethyl) (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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