MMsINC Database Search


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MMsINC code: MMs00006978

Type: Neutral
Formula: C₇H₆Cl₂O

SMILES:

Clc1cc(OC)cc(Cl)c1

InChI:

InChI=1/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.435 kcal/mol

Physical Properties
Molecular Weight: 177.03 g/mol	logS: -2.90384	SlogP: 3.002	Reactive groups: 0

Topological Properties
Globularity: 0.021725	Sterimol/B1: 2.37399	Sterimol/B2: 2.3764	Sterimol/B3: 3.7643
Sterimol/B4: 5.31145	Sterimol/L: 10.5868

Surface and Volume Properties
Accessible surface: 340.497	Positive charged surface: 147.488	Negative charged surface: 193.009	Volume: 149.375
Hydrophobic surface: 330.315	Hydrophilic surface: 10.182

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.