MMsINC Database Search


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MMsINC code: MMs00602771

Type: Neutral
Formula: C₁₂H₆Cl₄O₂

SMILES:

Clc1cc(cc(Cl)c1O)-c1cc(Cl)c(O)c(Cl)c1

InChI:

InChI=1/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4427 kcal/mol

Physical Properties
Molecular Weight: 323.99 g/mol	logS: -6.02452	SlogP: 5.3784	Reactive groups: 0

Topological Properties
Globularity: 0.00516913	Sterimol/B1: 2.1832	Sterimol/B2: 2.3012	Sterimol/B3: 3.54251
Sterimol/B4: 5.95641	Sterimol/L: 13.2949

Surface and Volume Properties
Accessible surface: 478.797	Positive charged surface: 121.586	Negative charged surface: 346.14	Volume: 240.5
Hydrophobic surface: 396.853	Hydrophilic surface: 81.944

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.