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MMsINC code: MMs01457667

Type: Neutral
Formula: C₁₉H₁₈N₂O₆

SMILES:

O(C(=O)c1cc(NC(=O)C)ccc1)CC(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C19H18N2O6/c1-12(22)20-14-7-5-6-13(10-14)18(24)27-11-17(23)21-16-9-4-3-8-15(16)19(25)26-2/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.837 kcal/mol

Physical Properties
Molecular Weight: 370.361 g/mol	logS: -4.35422	SlogP: 2.2271	Reactive groups: 0

Topological Properties
Globularity: 0.01822	Sterimol/B1: 2.63123	Sterimol/B2: 3.44949	Sterimol/B3: 3.49112
Sterimol/B4: 7.25301	Sterimol/L: 19.3361

Surface and Volume Properties
Accessible surface: 658.498	Positive charged surface: 416.691	Negative charged surface: 241.806	Volume: 336.375
Hydrophobic surface: 501.542	Hydrophilic surface: 156.956

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.