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MMsINC code: MMs02695192

Type: Neutral
Formula: C₁₆H₁₈N₂O₂

SMILES:

OC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1

InChI:

InChI=1/C16H18N2O2/c1-18(2)15-9-3-12(4-10-15)11-17-14-7-5-13(6-8-14)16(19)20/h3-10,17H,11H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6278 kcal/mol

Physical Properties
Molecular Weight: 270.332 g/mol	logS: -2.84605	SlogP: 3.3293	Reactive groups: 0

Topological Properties
Globularity: 0.0526792	Sterimol/B1: 2.3531	Sterimol/B2: 3.62104	Sterimol/B3: 3.65747
Sterimol/B4: 4.89308	Sterimol/L: 18.1326

Surface and Volume Properties
Accessible surface: 530.643	Positive charged surface: 364.46	Negative charged surface: 166.183	Volume: 273.125
Hydrophobic surface: 416.332	Hydrophilic surface: 114.311

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02695193
PUBCHEM-ZINC00506010