MMsINC Database Search


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MMsINC code: MMs01508973

Type: Neutral
Formula: C₁₄H₉F₄NO₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI:

InChI=1/C14H9F4NO2/c15-10-3-1-2-9(8-10)13(20)19-11-4-6-12(7-5-11)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)=75.3416 kcal/mol

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

Topological Properties
Globularity: 0.0172318	Sterimol/B1: 2.65501	Sterimol/B2: 3.05415	Sterimol/B3: 3.12066
Sterimol/B4: 5.00533	Sterimol/L: 16.6696

Surface and Volume Properties
Accessible surface: 476.663	Positive charged surface: 186.453	Negative charged surface: 290.21	Volume: 237.375
Hydrophobic surface: 324.768	Hydrophilic surface: 151.895

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.