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MMsINC code: MMs01272970

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C(NCC(=O)NC1CCCc2c1cccc2)c1ccccc1

InChI:

InChI=1/C19H20N2O2/c22-18(13-20-19(23)15-8-2-1-3-9-15)21-17-12-6-10-14-7-4-5-11-16(14)17/h1-5,7-9,11,17H,6,10,12-13H2,(H,20,23)(H,21,22)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1129 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.37234	SlogP: 2.70567	Reactive groups: 0

Topological Properties
Globularity: 0.0525775	Sterimol/B1: 2.98362	Sterimol/B2: 4.41711	Sterimol/B3: 4.63374
Sterimol/B4: 5.2007	Sterimol/L: 17.2438

Surface and Volume Properties
Accessible surface: 576.425	Positive charged surface: 350.518	Negative charged surface: 225.907	Volume: 306.5
Hydrophobic surface: 493.321	Hydrophilic surface: 83.104

Pharmacophoric Properties
Hydrogen bond donors: 2	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.