MMsINC Database Search


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MMsINC code: MMs00705494

Type: Neutral
Formula: C₁₁H₉F₆NO

SMILES:

FC(F)(F)C(C(=O)Nc1ccc(cc1)C)C(F)(F)F

InChI:

InChI=1/C11H9F6NO/c1-6-2-4-7(5-3-6)18-9(19)8(10(12,13)14)11(15,16)17/h2-5,8H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.8623 kcal/mol

Physical Properties
Molecular Weight: 285.187 g/mol	logS: -3.98335	SlogP: 4.51412	Reactive groups: 1

Topological Properties
Globularity: 0.0651727	Sterimol/B1: 3.05663	Sterimol/B2: 3.37598	Sterimol/B3: 3.63614
Sterimol/B4: 4.42853	Sterimol/L: 13.5884

Surface and Volume Properties
Accessible surface: 436.102	Positive charged surface: 167.098	Negative charged surface: 269.004	Volume: 209.875
Hydrophobic surface: 235.567	Hydrophilic surface: 200.535

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.