(2-oxo-2-pyrrolidin-1-ylethyl) (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Formula:C25H24N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-oxo-2-pyrrolidin-1-ylethyl) (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.

MolName	(2-oxo-2-pyrrolidin-1-ylethyl) (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormula	C25H24N2O4
Smiles	O=C(COC(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)=O)N1CCCC1
InChI	InChI=1S/C25H24N2O4/c28-22(27-12-3-4-13-27)16-31-25(29)23-19-9-1-2-11-21(19)26-24-17(7-5-10-20(23)24)15-18-8-6-14-30-18/h1-2,6,8-9,11,14-15H,3-5,7,10,12-13,16H2
InChIK	JJURRPBEPZGULP-UHFFFAOYSA-N
TotalMolweight	416.476
Molweight	416.476
MonoisotopicMass	416.173608
CLogP	3.9261
CLogS	-4.714
H Acceptors	6
TotalSurfaceArea	319.66
Relative PSA	0.20243
PolarSurfaceArea	72.64
Druglikeness	2.8979
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	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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