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MMsINC code: MMs01163880

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O=C(NCc1ccccc1)C(NC(=O)CCC)Cc1ccccc1

InChI:

InChI=1/C20H24N2O2/c1-2-9-19(23)22-18(14-16-10-5-3-6-11-16)20(24)21-15-17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6565 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -4.2573	SlogP: 3.09677	Reactive groups: 0

Topological Properties
Globularity: 0.0638244	Sterimol/B1: 2.5376	Sterimol/B2: 3.52427	Sterimol/B3: 3.96182
Sterimol/B4: 7.65278	Sterimol/L: 17.9194

Surface and Volume Properties
Accessible surface: 611.483	Positive charged surface: 393.218	Negative charged surface: 218.265	Volume: 336.375
Hydrophobic surface: 519.107	Hydrophilic surface: 92.376

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.