MMsINC Database Search


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MMsINC code: MMs00052385

Type: Neutral
Formula: C₁₂H₇Cl₂IO

SMILES:

Ic1ccccc1Oc1ccc(Cl)cc1Cl

InChI:

InChI=1/C12H7Cl2IO/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8824 kcal/mol

Physical Properties
Molecular Weight: 364.997 g/mol	logS: -5.62769	SlogP: 5.3903	Reactive groups: 0

Topological Properties
Globularity: 0.147193	Sterimol/B1: 2.55304	Sterimol/B2: 3.82268	Sterimol/B3: 4.4974
Sterimol/B4: 7.16901	Sterimol/L: 13.3024

Surface and Volume Properties
Accessible surface: 462.601	Positive charged surface: 140.689	Negative charged surface: 321.912	Volume: 239.375
Hydrophobic surface: 462.601	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.