(2-anilino-2-oxoethyl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C29H22N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2-anilino-2-oxoethyl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	(2-anilino-2-oxoethyl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C29H22N2O5
Smiles	O=C(COC(c1c(CC/C2=C\c(cc3)cc4c3OCO4)c2nc2ccccc12)=O)Nc1ccccc1
InChI	InChI=1S/C29H22N2O5/c32-26(30-20-6-2-1-3-7-20)16-34-29(33)27-21-8-4-5-9-23(21)31-28-19(11-12-22(27)28)14-18-10-13-24-25(15-18)36-17-35-24/h1-10,13-15H,11-12,16-17H2,(H,30,32)
InChIK	HVKGLNNNMGOXSE-UHFFFAOYSA-N
TotalMolweight	478.503
Molweight	478.503
MonoisotopicMass	478.152873
CLogP	5.158
CLogS	-6.656
H Acceptors	7
H Donors	1
TotalSurfaceArea	355.85
Relative PSA	0.22063
PolarSurfaceArea	86.75
Druglikeness	1.82
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (2-anilino-2-oxoethyl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - (2-anilino-2-oxoethyl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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