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MMsINC code: MMs02410664

Type: Ionized
Formula: C₈H₄O₆-2

SMILES:

Oc1ccc(O)c(C(=O)[O-])c1C(=O)[O-]

InChI:

InChI=1/C8H6O6/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12/h1-2,9-10H,(H,11,12)(H,13,14)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.39 kcal/mol

Physical Properties
Molecular Weight: 196.114 g/mol	logS: -1.12068	SlogP: -2.1752	Reactive groups: 0

Topological Properties
Globularity: 0.0312224	Sterimol/B1: 2.41601	Sterimol/B2: 2.71223	Sterimol/B3: 2.77578
Sterimol/B4: 6.45738	Sterimol/L: 9.16359

Surface and Volume Properties
Accessible surface: 323.829	Positive charged surface: 117.419	Negative charged surface: 206.41	Volume: 146.625
Hydrophobic surface: 112.371	Hydrophilic surface: 211.458

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

MMs02410663
NCID-ZINC04829199