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MMsINC code: MMs02505011

Type: Neutral
Formula: C₁₀H₉INO₃+

SMILES:

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

InChI:

InChI=1/C10H11INO3/c1-2-9(13)12-11-8-6-4-3-5-7(8)10(14)15-11/h3-6H,2,12H2,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=171.409 kcal/mol

Physical Properties
Molecular Weight: 318.09 g/mol	logS: -3.27614	SlogP: 1.7876	Reactive groups: 0

Topological Properties
Globularity: 0.0329704	Sterimol/B1: 2.90734	Sterimol/B2: 3.35309	Sterimol/B3: 4.17944
Sterimol/B4: 4.587	Sterimol/L: 14.3656

Surface and Volume Properties
Accessible surface: 433.478	Positive charged surface: 271.201	Negative charged surface: 162.277	Volume: 207.75
Hydrophobic surface: 282.068	Hydrophilic surface: 151.41

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 1	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.