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MMsINC code: MMs00977031

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C1N(CCC1)c1cc(ccc1)C(=O)NCCc1ccccc1

InChI:

InChI=1/C19H20N2O2/c22-18-10-5-13-21(18)17-9-4-8-16(14-17)19(23)20-12-11-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4894 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.68901	SlogP: 2.78587	Reactive groups: 0

Topological Properties
Globularity: 0.0306007	Sterimol/B1: 3.29618	Sterimol/B2: 3.61644	Sterimol/B3: 3.64372
Sterimol/B4: 6.25564	Sterimol/L: 19.4048

Surface and Volume Properties
Accessible surface: 589.336	Positive charged surface: 363.788	Negative charged surface: 225.548	Volume: 308.75
Hydrophobic surface: 509.809	Hydrophilic surface: 79.527

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.