MMsINC Database Search


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MMsINC code: MMs01101061

Type: Neutral
Formula: C₁₀H₉F₃N₂O₂

SMILES:

FC(F)(F)C(=O)Nc1ccc(NC(=O)C)cc1

InChI:

InChI=1/C10H9F3N2O2/c1-6(16)14-7-2-4-8(5-3-7)15-9(17)10(11,12)13/h2-5H,1H3,(H,14,16)(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.36 kcal/mol

Physical Properties
Molecular Weight: 246.188 g/mol	logS: -2.87941	SlogP: 2.5657	Reactive groups: 0

Topological Properties
Globularity: 0.0317077	Sterimol/B1: 2.23282	Sterimol/B2: 2.86233	Sterimol/B3: 3.80637
Sterimol/B4: 3.81103	Sterimol/L: 14.2302

Surface and Volume Properties
Accessible surface: 425.549	Positive charged surface: 191.66	Negative charged surface: 233.889	Volume: 194.75
Hydrophobic surface: 218.09	Hydrophilic surface: 207.459

Pharmacophoric Properties
Hydrogen bond donors: 2	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.