[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C25H20N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C25H20N2O4S
Smiles	O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)NCc1cccs1
InChI	InChI=1S/C25H20N2O4S/c28-22(26-14-18-6-4-12-32-18)15-31-25(29)23-19-7-1-2-8-21(19)27-24-16(9-10-20(23)24)13-17-5-3-11-30-17/h1-8,11-13H,9-10,14-15H2,(H,26,28)
InChIK	VUTDXAWZKHYODH-UHFFFAOYSA-N
TotalMolweight	444.51
Molweight	444.51
MonoisotopicMass	444.114378
CLogP	3.8113
CLogS	-5.453
H Acceptors	6
H Donors	1
TotalSurfaceArea	334.98
Relative PSA	0.27757
PolarSurfaceArea	109.67
Druglikeness	3.4598
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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