MMsINC Database Search


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MMsINC code: MMs02260218

Type: Neutral
Formula: C₁₀H₉Cl₃O₃

SMILES:

Clc1cc(Cl)c(Cl)cc1OCCOC(=O)C

InChI:

InChI=1/C10H9Cl3O3/c1-6(14)15-2-3-16-10-5-8(12)7(11)4-9(10)13/h4-5H,2-3H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.0633 kcal/mol

Physical Properties
Molecular Weight: 283.538 g/mol	logS: -4.05366	SlogP: 3.5887	Reactive groups: 0

Topological Properties
Globularity: 0.056299	Sterimol/B1: 2.53075	Sterimol/B2: 3.787	Sterimol/B3: 4.01917
Sterimol/B4: 5.17967	Sterimol/L: 15.1486

Surface and Volume Properties
Accessible surface: 478.878	Positive charged surface: 203.646	Negative charged surface: 275.232	Volume: 224.375
Hydrophobic surface: 433.735	Hydrophilic surface: 45.143

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.