MMsINC Database Search


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MMsINC code: MMs00594950

Type: Neutral
Formula: C₁₁H₉F₆NO₂

SMILES:

FC(F)(F)C(NC(OCc1ccccc1)=O)C(F)(F)F

InChI:

InChI=1/C11H9F6NO2/c12-10(13,14)8(11(15,16)17)18-9(19)20-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.7637 kcal/mol

Physical Properties
Molecular Weight: 301.186 g/mol	logS: -3.77381	SlogP: 4.5122	Reactive groups: 0

Topological Properties
Globularity: 0.0688952	Sterimol/B1: 2.81346	Sterimol/B2: 3.7758	Sterimol/B3: 3.80235
Sterimol/B4: 4.156	Sterimol/L: 14.6988

Surface and Volume Properties
Accessible surface: 468.416	Positive charged surface: 179.023	Negative charged surface: 289.392	Volume: 221.5
Hydrophobic surface: 234.07	Hydrophilic surface: 234.346

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.