MMsINC Database Search


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MMsINC code: MMs00753708

Type: Neutral
Formula: C₁₄H₉F₄NO₂

SMILES:

Fc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI:

InChI=1/C14H9F4NO2/c15-12-4-2-1-3-11(12)13(20)19-9-5-7-10(8-6-9)21-14(16,17)18/h1-8H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0819 kcal/mol

Physical Properties
Molecular Weight: 299.223 g/mol	logS: -4.83918	SlogP: 4.3965	Reactive groups: 0

Topological Properties
Globularity: 0.0173308	Sterimol/B1: 2.47371	Sterimol/B2: 2.48666	Sterimol/B3: 3.30654
Sterimol/B4: 5.34929	Sterimol/L: 16.663

Surface and Volume Properties
Accessible surface: 474.508	Positive charged surface: 194.058	Negative charged surface: 280.45	Volume: 238.75
Hydrophobic surface: 321.617	Hydrophilic surface: 152.891

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.