MMsINC Database Search


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MMsINC code: MMs02991332

Type: Neutral
Formula: C₁₄H₁₇F₃N₂O₂

SMILES:

FC(F)(F)C(=O)NCCCCCC(=O)Nc1ccccc1

InChI:

InChI=1/C14H17F3N2O2/c15-14(16,17)13(21)18-10-6-2-5-9-12(20)19-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2649 kcal/mol

Physical Properties
Molecular Weight: 302.296 g/mol	logS: -3.32976	SlogP: 3.2839	Reactive groups: 0

Topological Properties
Globularity: 0.0167926	Sterimol/B1: 2.93498	Sterimol/B2: 2.94479	Sterimol/B3: 3.18324
Sterimol/B4: 4.542	Sterimol/L: 19.7114

Surface and Volume Properties
Accessible surface: 557.57	Positive charged surface: 308.303	Negative charged surface: 249.267	Volume: 265.625
Hydrophobic surface: 351.462	Hydrophilic surface: 206.108

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.