MMsINC Database Search


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MMsINC code: MMs02474377

Type: Neutral
Formula: C₇H₄IO₃+

SMILES:

[I+2]1(OC(=O)c2c1cccc2)[O-]

InChI:

InChI=1/C7H6IO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,10H2/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.51 kcal/mol

Physical Properties
Molecular Weight: 263.01 g/mol	logS: -2.73903	SlogP: -0.1624	Reactive groups: 0

Topological Properties
Globularity: 0.0467213	Sterimol/B1: 2.25964	Sterimol/B2: 3.49517	Sterimol/B3: 3.9324
Sterimol/B4: 4.86746	Sterimol/L: 10.4215

Surface and Volume Properties
Accessible surface: 343.702	Positive charged surface: 211.622	Negative charged surface: 132.079	Volume: 152.625
Hydrophobic surface: 235.597	Hydrophilic surface: 108.105

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 1
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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Ions/Tautomers related molecules: no related molecules available.