MMsINC Database Search


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MMsINC code: MMs02670952

Type: Neutral
Formula: C₁₆H₁₈N₂O₂

SMILES:

OC1(CN(C1)C(=O)N(C)C)c1cc2c(cc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0229 kcal/mol

Physical Properties
Molecular Weight: 270.332 g/mol	logS: -2.98443	SlogP: 2.3361	Reactive groups: 0

Topological Properties
Globularity: 0.10659	Sterimol/B1: 2.42068	Sterimol/B2: 3.62932	Sterimol/B3: 4.12064
Sterimol/B4: 7.05144	Sterimol/L: 14.5894

Surface and Volume Properties
Accessible surface: 499.483	Positive charged surface: 285.623	Negative charged surface: 149.78	Volume: 267
Hydrophobic surface: 412.911	Hydrophilic surface: 86.572

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.