MMsINC Database Search


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MMsINC code: MMs03176355

Type: Neutral
Formula: C₁₃H₁₈N₂O₂

SMILES:

O1CCN(CC1)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C13H18N2O2/c1-11-2-4-12(5-3-11)10-14-13(16)15-6-8-17-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.1503 kcal/mol

Physical Properties
Molecular Weight: 234.299 g/mol	logS: -2.03164	SlogP: 1.80322	Reactive groups: 0

Topological Properties
Globularity: 0.0767396	Sterimol/B1: 3.29273	Sterimol/B2: 3.41657	Sterimol/B3: 3.8694
Sterimol/B4: 5.11234	Sterimol/L: 15.4224

Surface and Volume Properties
Accessible surface: 487.656	Positive charged surface: 353.118	Negative charged surface: 134.538	Volume: 234.625
Hydrophobic surface: 427.592	Hydrophilic surface: 60.064

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.