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

Formula:C26H26N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(azepan-1-yl)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-(azepan-1-yl)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C26H26N2O4
Smiles	O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)N1CCCCCC1
InChI	InChI=1S/C26H26N2O4/c29-23(28-13-5-1-2-6-14-28)17-32-26(30)24-20-9-3-4-10-22(20)27-25-18(11-12-21(24)25)16-19-8-7-15-31-19/h3-4,7-10,15-16H,1-2,5-6,11-14,17H2
InChIK	YWTNQNMZMMXNBV-UHFFFAOYSA-N
TotalMolweight	430.502
Molweight	430.502
MonoisotopicMass	430.189258
CLogP	4.2681
CLogS	-4.984
H Acceptors	6
TotalSurfaceArea	333.42
Relative PSA	0.19408
PolarSurfaceArea	72.64
Druglikeness	0.29495
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	1
StereoCon

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