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MMsINC code: MMs02310635

Type: Ionized
Formula: C₈H₃IO₄-2

SMILES:

Ic1cc(C(=O)[O-])c(cc1)C(=O)[O-]

InChI:

InChI=1/C8H5IO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0409 kcal/mol

Physical Properties
Molecular Weight: 290.012 g/mol	logS: -2.8361	SlogP: -0.9818	Reactive groups: 0

Topological Properties
Globularity: 0.0533729	Sterimol/B1: 2.85929	Sterimol/B2: 2.8798	Sterimol/B3: 3.03036
Sterimol/B4: 5.63112	Sterimol/L: 10.8957

Surface and Volume Properties
Accessible surface: 364.341	Positive charged surface: 78.6302	Negative charged surface: 285.711	Volume: 167.625
Hydrophobic surface: 202.94	Hydrophilic surface: 161.401

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:

MMs02310634
NCID-ZINC01675303