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MMsINC code: MMs02865418

Type: Ionized
Formula: C₁₉H₁₁NO₆-2

SMILES:

Oc1cc2c(cc1)cccc2N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-]

InChI:

InChI=1/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.954 kcal/mol

Physical Properties
Molecular Weight: 349.298 g/mol	logS: -5.30691	SlogP: 0.3235	Reactive groups: 0

Topological Properties
Globularity: 0.201429	Sterimol/B1: 3.14228	Sterimol/B2: 4.73713	Sterimol/B3: 5.94504
Sterimol/B4: 6.23148	Sterimol/L: 13.6892

Surface and Volume Properties
Accessible surface: 527.438	Positive charged surface: 222.523	Negative charged surface: 297.879	Volume: 305.375
Hydrophobic surface: 319.599	Hydrophilic surface: 207.839

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 4	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:

MMs02865417
PUBCHEM-ZINC02047504