[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C27H21N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C27H21N2O4Cl
Smiles	O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)NCc1cccc(Cl)c1
InChI	InChI=1S/C27H21ClN2O4/c28-19-6-3-5-17(13-19)15-29-24(31)16-34-27(32)25-21-8-1-2-9-23(21)30-26-18(10-11-22(25)26)14-20-7-4-12-33-20/h1-9,12-14H,10-11,15-16H2,(H,29,31)
InChIK	ULALXFDKTFEECU-UHFFFAOYSA-N
TotalMolweight	472.927
Molweight	472.927
MonoisotopicMass	472.118985
CLogP	4.5507
CLogS	-6.179
H Acceptors	6
H Donors	1
TotalSurfaceArea	354.46
Relative PSA	0.20488
PolarSurfaceArea	81.43
Druglikeness	2.1232
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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