PUBCHEM-ZINC04776034

MMsINC code: MMs03169676

• Type: Ionized
• Formula: C₇H₄IO₄-
• SMILES: [I+2]([O-])([O-])c1ccccc1C(=O)[O-]
• InChI: InChI=1/C7H5IO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)/p-1

Potential Energy
Epot(MMFF94)=20.0995 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 279.009 g/mol
• logS: -2.30729
• SlogP: -2.609
• Reactive groups: 0

Topological Properties

• Globularity: 0.0866785
• Sterimol/B1: 3.09031
• Sterimol/B2: 3.29768
• Sterimol/B3: 3.46632
• Sterimol/B4: 6.02962
• Sterimol/L: 9.44214

Surface and Volume Properties

• Accessible surface: 349.62
• Positive charged surface: 143.452
• Negative charged surface: 206.168
• Volume: 160.375
• Hydrophobic surface: 150.358
• Hydrophilic surface: 199.262

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 2
• Acid groups: 2
• 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