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MMsINC code: MMs02144523

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O=C(NC(C)C)c1ccccc1-c1ccccc1C(=O)NC(C)C

InChI:

InChI=1/C20H24N2O2/c1-13(2)21-19(23)17-11-7-5-9-15(17)16-10-6-8-12-18(16)20(24)22-14(3)4/h5-14H,1-4H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7008 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -5.41236	SlogP: 3.63	Reactive groups: 0

Topological Properties
Globularity: 0.537652	Sterimol/B1: 3.58962	Sterimol/B2: 3.97727	Sterimol/B3: 7.02038
Sterimol/B4: 7.25349	Sterimol/L: 12.1344

Surface and Volume Properties
Accessible surface: 589.439	Positive charged surface: 378.321	Negative charged surface: 210.283	Volume: 336.125
Hydrophobic surface: 488.128	Hydrophilic surface: 101.311

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.