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

Formula:C27H19N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2-cyanoanilino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-(2-cyanoanilino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C27H19N3O4
Smiles	N#Cc(cccc1)c1NC(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)=O
InChI	InChI=1S/C27H19N3O4/c28-15-18-6-1-3-9-22(18)29-24(31)16-34-27(32)25-20-8-2-4-10-23(20)30-26-17(11-12-21(25)26)14-19-7-5-13-33-19/h1-10,13-14H,11-12,16H2,(H,29,31)
InChIK	TXJRTKGBZNEGFW-UHFFFAOYSA-N
TotalMolweight	449.465
Molweight	449.465
MonoisotopicMass	449.137557
CLogP	4.0709
CLogS	-6.4
H Acceptors	7
H Donors	1
TotalSurfaceArea	346.99
Relative PSA	0.24836
PolarSurfaceArea	105.22
Druglikeness	-2.6958
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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