MMsINC Database Search


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MMsINC code: MMs00286426

Type: Neutral
Formula: C₁₅H₁₁F₆NO

SMILES:

FC(F)(F)C(C(=O)Nc1c2c(ccc1)cccc2)(C(F)(F)F)C

InChI:

InChI=1/C15H11F6NO/c1-13(14(16,17)18,15(19,20)21)12(23)22-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6609 kcal/mol

Physical Properties
Molecular Weight: 335.247 g/mol	logS: -5.58908	SlogP: 5.749	Reactive groups: 1

Topological Properties
Globularity: 0.0684919	Sterimol/B1: 2.69949	Sterimol/B2: 3.3329	Sterimol/B3: 4.38773
Sterimol/B4: 6.66131	Sterimol/L: 13.594

Surface and Volume Properties
Accessible surface: 481.514	Positive charged surface: 171.208	Negative charged surface: 298.364	Volume: 257.75
Hydrophobic surface: 291.978	Hydrophilic surface: 189.536

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.