MMsINC Database Search


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MMsINC code: MMs02684027

Type: Neutral
Formula: C₁₂H₁₁F₆NO

SMILES:

FC(F)(F)c1cc(cc(NC(=O)CCC)c1)C(F)(F)F

InChI:

InChI=1/C12H11F6NO/c1-2-3-10(20)19-9-5-7(11(13,14)15)4-8(6-9)12(16,17)18/h4-6H,2-3H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6544 kcal/mol

Physical Properties
Molecular Weight: 299.214 g/mol	logS: -4.42442	SlogP: 5.0858	Reactive groups: 0

Topological Properties
Globularity: 0.037019	Sterimol/B1: 2.70453	Sterimol/B2: 3.01008	Sterimol/B3: 4.54901
Sterimol/B4: 5.12228	Sterimol/L: 14.19

Surface and Volume Properties
Accessible surface: 479.973	Positive charged surface: 194.581	Negative charged surface: 285.392	Volume: 227.625
Hydrophobic surface: 208.087	Hydrophilic surface: 271.886

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.