MMsINC Database Search


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MMsINC code: MMs00485608

Type: Neutral
Formula: C₁₄H₉F₄NO

SMILES:

Fc1ccccc1C(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C14H9F4NO/c15-12-7-2-1-6-11(12)13(20)19-10-5-3-4-9(8-10)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)=72.8163 kcal/mol

Physical Properties
Molecular Weight: 283.224 g/mol	logS: -4.7064	SlogP: 4.4083	Reactive groups: 0

Topological Properties
Globularity: 0.0272211	Sterimol/B1: 2.72811	Sterimol/B2: 3.13723	Sterimol/B3: 3.32535
Sterimol/B4: 5.26455	Sterimol/L: 14.5175

Surface and Volume Properties
Accessible surface: 460.375	Positive charged surface: 185.291	Negative charged surface: 275.084	Volume: 230.5
Hydrophobic surface: 326.719	Hydrophilic surface: 133.656

Pharmacophoric Properties
Hydrogen bond donors: 1	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.