MMsINC Database Search


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MMsINC code: MMs02252730

Type: Neutral
Formula: C₁₃H₆Cl₆O₂

SMILES:

Clc1c(Cc2c(Cl)c(O)c(Cl)cc2Cl)c(Cl)cc(Cl)c1O

InChI:

InChI=1/C13H6Cl6O2/c14-6-2-8(16)12(20)10(18)4(6)1-5-7(15)3-9(17)13(21)11(5)19/h2-3,20-21H,1H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.341 kcal/mol

Physical Properties
Molecular Weight: 406.907 g/mol	logS: -6.86965	SlogP: 6.60897	Reactive groups: 0

Topological Properties
Globularity: 0.153975	Sterimol/B1: 3.00018	Sterimol/B2: 3.09967	Sterimol/B3: 4.76805
Sterimol/B4: 6.24122	Sterimol/L: 13.6501

Surface and Volume Properties
Accessible surface: 492.806	Positive charged surface: 142.761	Negative charged surface: 350.045	Volume: 283.125
Hydrophobic surface: 413.472	Hydrophilic surface: 79.334

Pharmacophoric Properties
Hydrogen bond donors: 2	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.