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MMsINC code: MMs00826351

Type: Neutral
Formula: C₂₁H₁₈N₂O₂

SMILES:

O=C(Nc1ccc(NC(=O)C)cc1)c1ccccc1-c1ccccc1

InChI:

InChI=1/C21H18N2O2/c1-15(24)22-17-11-13-18(14-12-17)23-21(25)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.142 kcal/mol

Physical Properties
Molecular Weight: 330.387 g/mol	logS: -5.9907	SlogP: 4.5643	Reactive groups: 0

Topological Properties
Globularity: 0.0475859	Sterimol/B1: 3.0964	Sterimol/B2: 3.84732	Sterimol/B3: 5.88997
Sterimol/B4: 6.16221	Sterimol/L: 17.2033

Surface and Volume Properties
Accessible surface: 603.349	Positive charged surface: 348.722	Negative charged surface: 251.915	Volume: 325.625
Hydrophobic surface: 531.066	Hydrophilic surface: 72.283

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.