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MMsINC code: MMs02241214

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O1CCN(CC1)C(NC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H20N2O2/c21-18(16-9-5-2-6-10-16)19-17(15-7-3-1-4-8-15)20-11-13-22-14-12-20/h1-10,17H,11-14H2,(H,19,21)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.3713 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -3.36901	SlogP: 2.5429	Reactive groups: 0

Topological Properties
Globularity: 0.150004	Sterimol/B1: 2.65663	Sterimol/B2: 3.89332	Sterimol/B3: 4.13183
Sterimol/B4: 9.33347	Sterimol/L: 14.3284

Surface and Volume Properties
Accessible surface: 536.77	Positive charged surface: 339.437	Negative charged surface: 197.333	Volume: 296.375
Hydrophobic surface: 500.323	Hydrophilic surface: 36.447

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.