MMsINC Database Search


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MMsINC code: MMs02674373

Type: Neutral
Formula: C₁₃H₇Cl₂FO₂

SMILES:

Clc1cc(Cl)ccc1OC(=O)c1ccccc1F

InChI:

InChI=1/C13H7Cl2FO2/c14-8-5-6-12(10(15)7-8)18-13(17)9-3-1-2-4-11(9)16/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3729 kcal/mol

Physical Properties
Molecular Weight: 285.101 g/mol	logS: -5.2625	SlogP: 4.3517	Reactive groups: 0

Topological Properties
Globularity: 0.0839153	Sterimol/B1: 2.33701	Sterimol/B2: 3.75182	Sterimol/B3: 3.90629
Sterimol/B4: 4.76791	Sterimol/L: 15.3817

Surface and Volume Properties
Accessible surface: 466.59	Positive charged surface: 172.228	Negative charged surface: 294.362	Volume: 229.625
Hydrophobic surface: 443.206	Hydrophilic surface: 23.384

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.