MMsINC Database Search


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MMsINC code: MMs00647600

Type: Neutral
Formula: C₁₆H₁₁F₆NO₂

SMILES:

FC(F)(F)C(O)(C(F)(F)F)c1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C16H11F6NO2/c17-15(18,19)14(25,16(20,21)22)11-6-8-12(9-7-11)23-13(24)10-4-2-1-3-5-10/h1-9,25H,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.038 kcal/mol

Physical Properties
Molecular Weight: 363.257 g/mol	logS: -5.29187	SlogP: 5.4024	Reactive groups: 0

Topological Properties
Globularity: 0.0420802	Sterimol/B1: 3.52927	Sterimol/B2: 3.66194	Sterimol/B3: 3.7574
Sterimol/B4: 3.98955	Sterimol/L: 16.7681

Surface and Volume Properties
Accessible surface: 524.2	Positive charged surface: 197.688	Negative charged surface: 326.512	Volume: 276.375
Hydrophobic surface: 290.551	Hydrophilic surface: 233.649

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.