[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C30H24N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C30H24N2O5
Smiles	O=C(COC(c1c(CC/C2=C/c3ccccc3)c2nc2ccccc12)=O)NCc(cc1)cc2c1OCO2
InChI	InChI=1S/C30H24N2O5/c33-27(31-16-20-10-13-25-26(15-20)37-18-36-25)17-35-30(34)28-22-8-4-5-9-24(22)32-29-21(11-12-23(28)29)14-19-6-2-1-3-7-19/h1-10,13-15H,11-12,16-18H2,(H,31,33)
InChIK	NWBFZACIIBEFBV-UHFFFAOYSA-N
TotalMolweight	492.53
Molweight	492.53
MonoisotopicMass	492.168523
CLogP	4.8674
CLogS	-6.472
H Acceptors	7
H Donors	1
TotalSurfaceArea	369.61
Relative PSA	0.21241
PolarSurfaceArea	86.75
Druglikeness	2.2694
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	8
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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