MMsINC Database Search


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MMsINC code: MMs02354866

Type: Neutral
Formula: C₈H₄Cl₄O₂

SMILES:

Clc1cc(Cl)cc(Cl)c1OCC(Cl)=O

InChI:

InChI=1/C8H4Cl4O2/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2H,3H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.8607 kcal/mol

Physical Properties
Molecular Weight: 273.93 g/mol	logS: -4.79072	SlogP: 4.0565	Reactive groups: 1

Topological Properties
Globularity: 0.0554479	Sterimol/B1: 3.01774	Sterimol/B2: 3.07885	Sterimol/B3: 3.55149
Sterimol/B4: 5.94841	Sterimol/L: 13.4677

Surface and Volume Properties
Accessible surface: 418.115	Positive charged surface: 88.6562	Negative charged surface: 329.459	Volume: 195.625
Hydrophobic surface: 296.233	Hydrophilic surface: 121.882

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.