MMsINC Database Search


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MMsINC code: MMs03028333

Type: Neutral
Formula: C₁₅H₂₀F₃NO

SMILES:

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

InChI:

InChI=1/C15H20F3NO/c1-3-6-11(7-4-2)14(20)19-13-9-5-8-12(10-13)15(16,17)18/h5,8-11H,3-4,6-7H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.369 kcal/mol

Physical Properties
Molecular Weight: 287.325 g/mol	logS: -5.1153	SlogP: 5.1718	Reactive groups: 0

Topological Properties
Globularity: 0.0830212	Sterimol/B1: 2.93268	Sterimol/B2: 3.40079	Sterimol/B3: 3.50625
Sterimol/B4: 6.43501	Sterimol/L: 15.8692

Surface and Volume Properties
Accessible surface: 523.999	Positive charged surface: 290.134	Negative charged surface: 233.865	Volume: 270.375
Hydrophobic surface: 344.78	Hydrophilic surface: 179.219

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.