MMsINC Database Search


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MMsINC code: MMs02559354

Type: Neutral
Formula: C₁₆H₁₈N₂O₂

SMILES:

O(C)c1ccc(NCC(=O)Nc2ccc(cc2)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0209 kcal/mol

Physical Properties
Molecular Weight: 270.332 g/mol	logS: -3.70207	SlogP: 3.05422	Reactive groups: 0

Topological Properties
Globularity: 0.0118556	Sterimol/B1: 2.59782	Sterimol/B2: 2.64939	Sterimol/B3: 3.79564
Sterimol/B4: 4.41824	Sterimol/L: 19.343

Surface and Volume Properties
Accessible surface: 545.229	Positive charged surface: 361.582	Negative charged surface: 183.647	Volume: 272.625
Hydrophobic surface: 471.198	Hydrophilic surface: 74.031

Pharmacophoric Properties
Hydrogen bond donors: 2	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.