MMsINC Database Search


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MMsINC code: MMs00609653

Type: Neutral
Formula: C₁₅H₁₇F₃N₂O₂

SMILES:

FC(F)(F)C(=O)Nc1ccccc1C(=O)NC1CCCCC1

InChI:

InChI=1/C15H17F3N2O2/c16-15(17,18)14(22)20-12-9-5-4-8-11(12)13(21)19-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1087 kcal/mol

Physical Properties
Molecular Weight: 314.307 g/mol	logS: -4.28723	SlogP: 3.6698	Reactive groups: 0

Topological Properties
Globularity: 0.0596148	Sterimol/B1: 2.55116	Sterimol/B2: 3.1636	Sterimol/B3: 3.66073
Sterimol/B4: 8.46119	Sterimol/L: 14.1947

Surface and Volume Properties
Accessible surface: 523.688	Positive charged surface: 286.286	Negative charged surface: 237.402	Volume: 271.625
Hydrophobic surface: 357.66	Hydrophilic surface: 166.028

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.