MMsINC Database Search


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MMsINC code: MMs00537187

Type: Neutral
Formula: C₁₅H₁₉F₃N₂O₂

SMILES:

FC(F)(F)c1cc(NC(=O)C(=O)NCCCCCC)ccc1

InChI:

InChI=1/C15H19F3N2O2/c1-2-3-4-5-9-19-13(21)14(22)20-12-8-6-7-11(10-12)15(16,17)18/h6-8,10H,2-5,9H2,1H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.3449 kcal/mol

Physical Properties
Molecular Weight: 316.323 g/mol	logS: -4.89073	SlogP: 3.6519	Reactive groups: 0

Topological Properties
Globularity: 0.0174675	Sterimol/B1: 2.98399	Sterimol/B2: 3.36352	Sterimol/B3: 3.95317
Sterimol/B4: 4.18539	Sterimol/L: 20.7383

Surface and Volume Properties
Accessible surface: 587.105	Positive charged surface: 337.605	Negative charged surface: 249.499	Volume: 283.125
Hydrophobic surface: 360.562	Hydrophilic surface: 226.543

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.