[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Formula:C25H20N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.

MolName	[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormula	C25H20N2O4
Smiles	O=C(COC(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)=O)c1ccc[nH]1
InChI	InChI=1S/C25H20N2O4/c28-22(21-11-4-12-26-21)15-31-25(29)23-18-8-1-2-10-20(18)27-24-16(6-3-9-19(23)24)14-17-7-5-13-30-17/h1-2,4-5,7-8,10-14,26H,3,6,9,15H2
InChIK	XAVULNPFJIQCHO-UHFFFAOYSA-N
TotalMolweight	412.444
Molweight	412.444
MonoisotopicMass	412.142308
CLogP	3.5213
CLogS	-5.287
H Acceptors	6
H Donors	1
TotalSurfaceArea	317.15
Relative PSA	0.23695
PolarSurfaceArea	85.19
Druglikeness	0.15608
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	5
Aromatic Nitrogens	2
StereoCon

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