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MMsINC code: MMs02673327

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

O=C(Nc1ccccc1)C(CC)(CC)C(=O)Nc1ccccc1

InChI:

InChI=1/C19H22N2O2/c1-3-19(4-2,17(22)20-15-11-7-5-8-12-15)18(23)21-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8514 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -4.8993	SlogP: 4.0702	Reactive groups: 0

Topological Properties
Globularity: 0.139316	Sterimol/B1: 2.51397	Sterimol/B2: 3.97718	Sterimol/B3: 5.07319
Sterimol/B4: 6.96975	Sterimol/L: 16.5315

Surface and Volume Properties
Accessible surface: 572.154	Positive charged surface: 330.073	Negative charged surface: 242.081	Volume: 315.375
Hydrophobic surface: 497.689	Hydrophilic surface: 74.465

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.