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MMsINC code: MMs03806067

Type: Ionized
Formula: C₁₀H₆O₅-2

SMILES:

O=C(C(C(=O)[O-])C(=O)[O-])c1ccccc1

InChI:

InChI=1/C10H8O5/c11-8(6-4-2-1-3-5-6)7(9(12)13)10(14)15/h1-5,7H,(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)=23.8385 kcal/mol

Physical Properties
Molecular Weight: 206.153 g/mol	logS: -1.95885	SlogP: -2.0147	Reactive groups: 0

Topological Properties
Globularity: 0.0889642	Sterimol/B1: 3.31628	Sterimol/B2: 3.58636	Sterimol/B3: 3.92217
Sterimol/B4: 4.23629	Sterimol/L: 11.4653

Surface and Volume Properties
Accessible surface: 373.342	Positive charged surface: 132.784	Negative charged surface: 240.558	Volume: 172.375
Hydrophobic surface: 188.509	Hydrophilic surface: 184.833

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

MMs03806066
PUBCHEM-ZINC06578502