MMsINC Database Search


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MMsINC code: MMs03384543

Type: Neutral
Formula: C₁₂H₅Cl₅O₂

SMILES:

Clc1cc(Cl)cc(Cl)c1Oc1cc(Cl)c(O)c(Cl)c1

InChI:

InChI=1/C12H5Cl5O2/c13-5-1-9(16)12(10(17)2-5)19-6-3-7(14)11(18)8(15)4-6/h1-4,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6636 kcal/mol

Physical Properties
Molecular Weight: 358.435 g/mol	logS: -6.47709	SlogP: 6.4515	Reactive groups: 0

Topological Properties
Globularity: 0.142185	Sterimol/B1: 2.54533	Sterimol/B2: 4.70144	Sterimol/B3: 4.71281
Sterimol/B4: 6.47558	Sterimol/L: 14.2877

Surface and Volume Properties
Accessible surface: 499.926	Positive charged surface: 115.525	Negative charged surface: 384.401	Volume: 258
Hydrophobic surface: 458.868	Hydrophilic surface: 41.058

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.