MMsINC Database Search


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MMsINC code: MMs02862992

Type: Neutral
Formula: C₁₁H₉Cl₅O₃

SMILES:

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

InChI:

InChI=1/C11H9Cl5O3/c1-11(15,16)10(17)19-3-2-18-9-5-7(13)6(12)4-8(9)14/h4-5H,2-3H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8528 kcal/mol

Physical Properties
Molecular Weight: 366.455 g/mol	logS: -5.96003	SlogP: 5.1825	Reactive groups: 0

Topological Properties
Globularity: 0.0512516	Sterimol/B1: 3.25788	Sterimol/B2: 3.90162	Sterimol/B3: 4.32557
Sterimol/B4: 4.80951	Sterimol/L: 15.9861

Surface and Volume Properties
Accessible surface: 545.533	Positive charged surface: 180.465	Negative charged surface: 365.068	Volume: 273.5
Hydrophobic surface: 389.867	Hydrophilic surface: 155.666

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.