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MMsINC code: MMs00842547

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C1N(C(C)C)C(CC1)C(=O)NCc1ccccc1

InChI:

InChI=1/C15H20N2O2/c1-11(2)17-13(8-9-14(17)18)15(19)16-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.8371 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.48454	SlogP: 1.9686	Reactive groups: 0

Topological Properties
Globularity: 0.0856026	Sterimol/B1: 2.18568	Sterimol/B2: 2.5595	Sterimol/B3: 4.9201
Sterimol/B4: 6.12361	Sterimol/L: 15.0463

Surface and Volume Properties
Accessible surface: 513.304	Positive charged surface: 339.557	Negative charged surface: 173.747	Volume: 266
Hydrophobic surface: 415.147	Hydrophilic surface: 98.157

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.