MMsINC Database Search


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MMsINC code: MMs02850932

Type: Neutral
Formula: C₈H₈Cl₂O₂

SMILES:

Clc1cc(Cl)cc(OC)c1OC

InChI:

InChI=1/C8H8Cl2O2/c1-11-7-4-5(9)3-6(10)8(7)12-2/h3-4H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2509 kcal/mol

Physical Properties
Molecular Weight: 207.056 g/mol	logS: -2.95422	SlogP: 3.0106	Reactive groups: 0

Topological Properties
Globularity: 0.0641678	Sterimol/B1: 2.53477	Sterimol/B2: 2.53825	Sterimol/B3: 2.74682
Sterimol/B4: 7.12574	Sterimol/L: 9.53985

Surface and Volume Properties
Accessible surface: 378.361	Positive charged surface: 206.749	Negative charged surface: 171.613	Volume: 173
Hydrophobic surface: 362.796	Hydrophilic surface: 15.565

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.