MMsINC Database Search


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MMsINC code: MMs02251048

Type: Neutral
Formula: C₁₀H₁₀Cl₃IO₂

SMILES:

ICCOCCOc1c(Cl)cc(Cl)cc1Cl

InChI:

InChI=1/C10H10Cl3IO2/c11-7-5-8(12)10(9(13)6-7)16-4-3-15-2-1-14/h5-6H,1-4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.418 kcal/mol

Physical Properties
Molecular Weight: 395.451 g/mol	logS: -5.58904	SlogP: 4.4772	Reactive groups: 1

Topological Properties
Globularity: 0.0505227	Sterimol/B1: 2.52105	Sterimol/B2: 3.83205	Sterimol/B3: 4.04192
Sterimol/B4: 5.45977	Sterimol/L: 15.0318

Surface and Volume Properties
Accessible surface: 503.424	Positive charged surface: 201.745	Negative charged surface: 301.678	Volume: 256.75
Hydrophobic surface: 497.768	Hydrophilic surface: 5.656

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.