MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02498203

Type: Ionized
Formula: C₁₀H₄O₆-2

SMILES:

O1c2c(OC(C(=O)[O-])=C1C(=O)[O-])cccc2

InChI:

InChI=1/C10H6O6/c11-9(12)7-8(10(13)14)16-6-4-2-1-3-5(6)15-7/h1-4H,(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)=71.1836 kcal/mol

Physical Properties
Molecular Weight: 220.136 g/mol	logS: -3.4244	SlogP: -1.8308	Reactive groups: 0

Topological Properties
Globularity: 0.02731	Sterimol/B1: 2.87404	Sterimol/B2: 2.91878	Sterimol/B3: 3.51141
Sterimol/B4: 4.90744	Sterimol/L: 11.0343

Surface and Volume Properties
Accessible surface: 376.785	Positive charged surface: 133.775	Negative charged surface: 243.01	Volume: 174
Hydrophobic surface: 204.782	Hydrophilic surface: 172.003

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Parent related molecule:

MMs02498202
NCID-ZINC05808164