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MMsINC code: MMs03230971

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

OC(=O)C(NC(=O)Nc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C16H16N2O3/c19-15(20)14(11-12-7-3-1-4-8-12)18-16(21)17-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,19,20)(H2,17,18,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.9863 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.2534	SlogP: 2.50397	Reactive groups: 0

Topological Properties
Globularity: 0.132711	Sterimol/B1: 2.53527	Sterimol/B2: 3.86275	Sterimol/B3: 3.91838
Sterimol/B4: 9.05774	Sterimol/L: 14.0637

Surface and Volume Properties
Accessible surface: 534.211	Positive charged surface: 298.828	Negative charged surface: 235.383	Volume: 273.125
Hydrophobic surface: 404.329	Hydrophilic surface: 129.882

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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

MMs03230972
PUBCHEM-ZINC05279134