MMsINC Database Search


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MMsINC code: MMs02551442

Type: Neutral
Formula: C₇H₄ClFO₂

SMILES:

Clc1cc(C=O)c(O)cc1F

InChI:

InChI=1/C7H4ClFO2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-3,11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.1172 kcal/mol

Physical Properties
Molecular Weight: 174.558 g/mol	logS: -2.05831	SlogP: 1.9972	Reactive groups: 1

Topological Properties
Globularity: 0.0112146	Sterimol/B1: 2.16145	Sterimol/B2: 2.24351	Sterimol/B3: 2.75706
Sterimol/B4: 5.26283	Sterimol/L: 9.37328

Surface and Volume Properties
Accessible surface: 317.263	Positive charged surface: 136.879	Negative charged surface: 180.383	Volume: 135.75
Hydrophobic surface: 210.817	Hydrophilic surface: 106.446

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.