MMsINC Database Search


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MMsINC code: MMs01508943

Type: Neutral
Formula: C₁₄H₉F₄NO₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI:

InChI=1/C14H9F4NO2/c15-10-3-1-9(2-4-10)13(20)19-11-5-7-12(8-6-11)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)=78.0335 kcal/mol

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

Topological Properties
Globularity: 0.0170657	Sterimol/B1: 2.68973	Sterimol/B2: 2.75388	Sterimol/B3: 3.07968
Sterimol/B4: 5.06166	Sterimol/L: 16.9403

Surface and Volume Properties
Accessible surface: 478.572	Positive charged surface: 188.874	Negative charged surface: 289.697	Volume: 237.5
Hydrophobic surface: 323.988	Hydrophilic surface: 154.584

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.