MMsINC Database Search


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MMsINC code: MMs03279272

Type: Neutral
Formula: C₁₂H₁₀F₇NO

SMILES:

FC(F)(C(F)(F)C(F)(F)F)C(=O)Nc1ccccc1CC

InChI:

InChI=1/C12H10F7NO/c1-2-7-5-3-4-6-8(7)20-9(21)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8319 kcal/mol

Physical Properties
Molecular Weight: 317.204 g/mol	logS: -4.75233	SlogP: 5.28007	Reactive groups: 1

Topological Properties
Globularity: 0.056908	Sterimol/B1: 2.15169	Sterimol/B2: 2.55011	Sterimol/B3: 3.58102
Sterimol/B4: 7.52353	Sterimol/L: 13.5193

Surface and Volume Properties
Accessible surface: 466.91	Positive charged surface: 164.886	Negative charged surface: 302.025	Volume: 230.125
Hydrophobic surface: 231.399	Hydrophilic surface: 235.511

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.