MMsINC Database Search


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MMsINC code: MMs02949197

Type: Neutral
Formula: C₁₄H₁₆F₃NO

SMILES:

FC(F)(F)c1ccc(NC(=O)C2CCCCC2)cc1

InChI:

InChI=1/C14H16F3NO/c15-14(16,17)11-6-8-12(9-7-11)18-13(19)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3594 kcal/mol

Physical Properties
Molecular Weight: 271.282 g/mol	logS: -4.49804	SlogP: 4.5357	Reactive groups: 0

Topological Properties
Globularity: 0.0579704	Sterimol/B1: 2.42339	Sterimol/B2: 2.72884	Sterimol/B3: 3.77965
Sterimol/B4: 4.82612	Sterimol/L: 15.3428

Surface and Volume Properties
Accessible surface: 483.211	Positive charged surface: 267.857	Negative charged surface: 215.354	Volume: 242.25
Hydrophobic surface: 347.624	Hydrophilic surface: 135.587

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.