MMsINC Database Search


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MMsINC code: MMs03267324

Type: Neutral
Formula: C₇H₄Cl₂O₃

SMILES:

Clc1ccc(Cl)cc1OC(O)=O

InChI:

InChI=1/C7H4Cl2O3/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3H,(H,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.0113 kcal/mol

Physical Properties
Molecular Weight: 207.012 g/mol	logS: -2.86411	SlogP: 3.0502	Reactive groups: 0

Topological Properties
Globularity: 0.0495496	Sterimol/B1: 2.81475	Sterimol/B2: 2.85722	Sterimol/B3: 4.38799
Sterimol/B4: 4.70334	Sterimol/L: 10.6535

Surface and Volume Properties
Accessible surface: 350.97	Positive charged surface: 116.655	Negative charged surface: 234.314	Volume: 155.5
Hydrophobic surface: 246.531	Hydrophilic surface: 104.439

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.