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MMsINC code: MMs02782651

Type: Ionized
Formula: C₁₉H₁₃N₂O₆-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.5399 kcal/mol

Physical Properties
Molecular Weight: 365.321 g/mol	logS: -4.85923	SlogP: 0.6449	Reactive groups: 0

Topological Properties
Globularity: 0.033975	Sterimol/B1: 2.71914	Sterimol/B2: 3.40602	Sterimol/B3: 3.87999
Sterimol/B4: 5.2978	Sterimol/L: 20.2672

Surface and Volume Properties
Accessible surface: 611.422	Positive charged surface: 318.289	Negative charged surface: 293.133	Volume: 319.375
Hydrophobic surface: 319.987	Hydrophilic surface: 291.435

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02782650
PUBCHEM-ZINC01171573