MMsINC Database Search


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MMsINC code: MMs00092523

Type: Neutral
Formula: C₁₆H₁₃F₃N₂O₂

SMILES:

FC(F)(F)C(=O)Nc1cc(ccc1)C(=O)Nc1ccccc1C

InChI:

InChI=1/C16H13F3N2O2/c1-10-5-2-3-8-13(10)21-14(22)11-6-4-7-12(9-11)20-15(23)16(17,18)19/h2-9H,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.455 kcal/mol

Physical Properties
Molecular Weight: 322.286 g/mol	logS: -4.80042	SlogP: 4.16802	Reactive groups: 0

Topological Properties
Globularity: 0.029547	Sterimol/B1: 2.25767	Sterimol/B2: 3.57011	Sterimol/B3: 3.57667
Sterimol/B4: 6.51329	Sterimol/L: 15.9556

Surface and Volume Properties
Accessible surface: 535.901	Positive charged surface: 237.224	Negative charged surface: 298.677	Volume: 274.25
Hydrophobic surface: 350	Hydrophilic surface: 185.901

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.