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MMsINC code: MMs03071139

Type: Ionized
Formula: C₁₆H₆Cl₂F₂NO₂-

SMILES:

Clc1cc(Cl)ccc1-c1nc2c(cc(F)cc2F)c(c1)C(=O)[O-]

InChI:

InChI=1/C16H7Cl2F2NO2/c17-7-1-2-9(12(18)3-7)14-6-11(16(22)23)10-4-8(19)5-13(20)15(10)21-14/h1-6H,(H,22,23)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9819 kcal/mol

Physical Properties
Molecular Weight: 353.131 g/mol	logS: -6.65699	SlogP: 3.8503	Reactive groups: 0

Topological Properties
Globularity: 0.0781456	Sterimol/B1: 2.34627	Sterimol/B2: 4.99333	Sterimol/B3: 5.36844
Sterimol/B4: 5.6654	Sterimol/L: 15.7231

Surface and Volume Properties
Accessible surface: 518.409	Positive charged surface: 158.554	Negative charged surface: 352.581	Volume: 271.25
Hydrophobic surface: 425.134	Hydrophilic surface: 93.275

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs03071138
PUBCHEM-ZINC03756441