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MMsINC code: MMs02782650

Type: Neutral
Formula: C₁₉H₁₄N₂O₆

SMILES:

O(Cc1ccc(cc1)C(O)=O)c1ccc(cc1)C=C1C(=O)NC(=O)NC1=O

InChI:

InChI=1/C19H14N2O6/c22-16-15(17(23)21-19(26)20-16)9-11-3-7-14(8-4-11)27-10-12-1-5-13(6-2-12)18(24)25/h1-9H,10H2,(H,24,25)(H2,20,21,22,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2622 kcal/mol

Physical Properties
Molecular Weight: 366.329 g/mol	logS: -4.59878	SlogP: 1.9796	Reactive groups: 0

Topological Properties
Globularity: 0.0316492	Sterimol/B1: 2.17709	Sterimol/B2: 3.47496	Sterimol/B3: 4.48807
Sterimol/B4: 5.26703	Sterimol/L: 19.9008

Surface and Volume Properties
Accessible surface: 600.724	Positive charged surface: 336.025	Negative charged surface: 264.7	Volume: 317.375
Hydrophobic surface: 315.545	Hydrophilic surface: 285.179

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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

MMs02782651
PUBCHEM-ZINC01171573