(2-oxo-2-piperidin-1-ylethyl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C28H26N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2-oxo-2-piperidin-1-ylethyl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	(2-oxo-2-piperidin-1-ylethyl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C28H26N2O5
Smiles	O=C(COC(c1c(CC/C2=C\c(cc3)cc4c3OCO4)c2nc2ccccc12)=O)N1CCCCC1
InChI	InChI=1S/C28H26N2O5/c31-25(30-12-4-1-5-13-30)16-33-28(32)26-20-6-2-3-7-22(20)29-27-19(9-10-21(26)27)14-18-8-11-23-24(15-18)35-17-34-23/h2-3,6-8,11,14-15H,1,4-5,9-10,12-13,16-17H2
InChIK	GGYDNOLNCAMHBX-UHFFFAOYSA-N
TotalMolweight	470.523
Molweight	470.523
MonoisotopicMass	470.184173
CLogP	4.8488
CLogS	-5.743
H Acceptors	7
TotalSurfaceArea	350.23
Relative PSA	0.20158
PolarSurfaceArea	77.96
Druglikeness	3.0389
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	12
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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