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MMsINC code: MMs02904352

Type: Ionized
Formula: C₁₀H₅NO₄-2

SMILES:

O=C([O-])c1cc2cc([nH]c2cc1)C(=O)[O-]

InChI:

InChI=1/C10H7NO4/c12-9(13)5-1-2-7-6(3-5)4-8(11-7)10(14)15/h1-4,11H,(H,12,13)(H,14,15)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.9178 kcal/mol

Physical Properties
Molecular Weight: 203.153 g/mol	logS: -2.2874	SlogP: -1.1051	Reactive groups: 0

Topological Properties
Globularity: 1.1011e-08	Sterimol/B1: 2.09722	Sterimol/B2: 2.09735	Sterimol/B3: 3.07035
Sterimol/B4: 4.96498	Sterimol/L: 12.7105

Surface and Volume Properties
Accessible surface: 366.184	Positive charged surface: 133.923	Negative charged surface: 226.449	Volume: 168.125
Hydrophobic surface: 157.514	Hydrophilic surface: 208.67

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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

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Parent related molecule:

MMs02904351
PUBCHEM-ZINC02582702