MMsINC Database Search


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MMsINC code: MMs01293216

Type: Neutral
Formula: C₈H₈F₄N+

SMILES:

FC(C(F)(F)F)c1[n+](cccc1)C

InChI:

InChI=1/C8H8F4N/c1-13-5-3-2-4-6(13)7(9)8(10,11)12/h2-5,7H,1H3/q+1/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0509 kcal/mol

Physical Properties
Molecular Weight: 194.151 g/mol	logS: -1.52952	SlogP: 2.9586	Reactive groups: 0

Topological Properties
Globularity: 0.14079	Sterimol/B1: 2.22318	Sterimol/B2: 2.85227	Sterimol/B3: 3.2585
Sterimol/B4: 6.00028	Sterimol/L: 10.3248

Surface and Volume Properties
Accessible surface: 336.535	Positive charged surface: 173.033	Negative charged surface: 163.502	Volume: 153.125
Hydrophobic surface: 174.037	Hydrophilic surface: 162.498

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
Chiral centers: 1

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.