MMsINC Database Search


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MMsINC code: MMs02331013

Type: Neutral
Formula: C₁₃H₉ClO₂

SMILES:

Clc1ccc(cc1)C(=O)c1cc(O)ccc1

InChI:

InChI=1/C13H9ClO2/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0122 kcal/mol

Physical Properties
Molecular Weight: 232.666 g/mol	logS: -3.83003	SlogP: 3.2766	Reactive groups: 0

Topological Properties
Globularity: 0.0328682	Sterimol/B1: 2.15124	Sterimol/B2: 3.15829	Sterimol/B3: 3.50792
Sterimol/B4: 5.25735	Sterimol/L: 13.291

Surface and Volume Properties
Accessible surface: 426.322	Positive charged surface: 190.781	Negative charged surface: 235.542	Volume: 210
Hydrophobic surface: 339.467	Hydrophilic surface: 86.855

Pharmacophoric Properties
Hydrogen bond donors: 1	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.