MMsINC Database Search


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MMsINC code: MMs02342681

Type: Neutral
Formula: C₁₀H₁₀F₃NO

SMILES:

FC(F)(F)C(=O)NCCc1ccccc1

InChI:

InChI=1/C10H10F3NO/c11-10(12,13)9(15)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1119 kcal/mol

Physical Properties
Molecular Weight: 217.19 g/mol	logS: -2.67547	SlogP: 2.32747	Reactive groups: 0

Topological Properties
Globularity: 0.0669496	Sterimol/B1: 3.15668	Sterimol/B2: 3.47683	Sterimol/B3: 3.61746
Sterimol/B4: 3.61813	Sterimol/L: 13.6893

Surface and Volume Properties
Accessible surface: 411.609	Positive charged surface: 183.017	Negative charged surface: 228.592	Volume: 185.125
Hydrophobic surface: 249.095	Hydrophilic surface: 162.514

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.