[2-(carbamoylamino)-2-oxoethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Formula:C25H21N3O6 Mutagenic:low Tumorigenic:low Reproductive Effective:high [2-(carbamoylamino)-2-oxoethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.

MolName	[2-(carbamoylamino)-2-oxoethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormula	C25H21N3O6
Smiles	NC(NC(COC(c1c(CCC/C2=C\c(cc3)cc4c3OCO4)c2nc2ccccc12)=O)=O)=O
InChI	InChI=1S/C25H21N3O6/c26-25(31)28-21(29)12-32-24(30)22-16-5-1-2-7-18(16)27-23-15(4-3-6-17(22)23)10-14-8-9-19-20(11-14)34-13-33-19/h1-2,5,7-11H,3-4,6,12-13H2,(H3,26,28,29,31)
InChIK	BDEHKFZGTNBDAV-UHFFFAOYSA-N
TotalMolweight	459.457
Molweight	459.457
MonoisotopicMass	459.143037
CLogP	3.2255
CLogS	-5.964
H Acceptors	9
H Donors	2
TotalSurfaceArea	336.12
Relative PSA	0.3178
PolarSurfaceArea	129.84
Druglikeness	0.80107
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Amides	2
Aromatic Nitrogens	1
StereoCon

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