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MMsINC code: MMs01246209

Type: Neutral
Formula: C₁₉H₁₆N₂O₅

SMILES:

O=C1N(CC(OCC(=O)Nc2ccc(cc2)C)=O)C(=O)c2c1cccc2

InChI:

InChI=1/C19H16N2O5/c1-12-6-8-13(9-7-12)20-16(22)11-26-17(23)10-21-18(24)14-4-2-3-5-15(14)19(21)25/h2-9H,10-11H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7309 kcal/mol

Physical Properties
Molecular Weight: 352.346 g/mol	logS: -4.81325	SlogP: 1.77292	Reactive groups: 1

Topological Properties
Globularity: 0.0259137	Sterimol/B1: 3.38633	Sterimol/B2: 3.63694	Sterimol/B3: 3.693
Sterimol/B4: 4.55	Sterimol/L: 21.0594

Surface and Volume Properties
Accessible surface: 625.112	Positive charged surface: 360.064	Negative charged surface: 265.047	Volume: 318
Hydrophobic surface: 457.944	Hydrophilic surface: 167.168

Pharmacophoric Properties
Hydrogen bond donors: 1	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.