MMsINC Database Search


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MMsINC code: MMs02676499

Type: Neutral
Formula: C₇H₄Cl₂O₂

SMILES:

Clc1ccccc1OC(Cl)=O

InChI:

InChI=1/C7H4Cl2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.6343 kcal/mol

Physical Properties
Molecular Weight: 191.013 g/mol	logS: -3.28657	SlogP: 3.0776	Reactive groups: 0

Topological Properties
Globularity: 0.056187	Sterimol/B1: 2.53673	Sterimol/B2: 2.58621	Sterimol/B3: 3.17874
Sterimol/B4: 5.73906	Sterimol/L: 11.1658

Surface and Volume Properties
Accessible surface: 342.44	Positive charged surface: 98.8227	Negative charged surface: 243.617	Volume: 147.75
Hydrophobic surface: 222.166	Hydrophilic surface: 120.274

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.