MMsINC Database Search


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MMsINC code: MMs03366702

Type: Neutral
Formula: C₁₀H₁₀Cl₄O

SMILES:

ClC(CC(Cl)(Cl)Cl)COc1ccccc1

InChI:

InChI=1/C10H10Cl4O/c11-8(6-10(12,13)14)7-15-9-4-2-1-3-5-9/h1-5,8H,6-7H2/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0934 kcal/mol

Physical Properties
Molecular Weight: 288.001 g/mol	logS: -4.81007	SlogP: 5.2729	Reactive groups: 0

Topological Properties
Globularity: 0.0630398	Sterimol/B1: 3.32197	Sterimol/B2: 3.5874	Sterimol/B3: 3.70906
Sterimol/B4: 4.44083	Sterimol/L: 13.7109

Surface and Volume Properties
Accessible surface: 460.588	Positive charged surface: 160.758	Negative charged surface: 299.829	Volume: 229
Hydrophobic surface: 253.845	Hydrophilic surface: 206.743

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.