MMsINC Database Search


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MMsINC code: MMs02236584

Type: Neutral
Formula: C₆H₁₀F₃NO₂

SMILES:

FC(F)(F)C(C(N)C(O)=O)CC

InChI:

InChI=1/C6H10F3NO2/c1-2-3(6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.5108 kcal/mol

Physical Properties
Molecular Weight: 185.145 g/mol	logS: -1.27949	SlogP: 1.4067	Reactive groups: 0

Topological Properties
Globularity: 0.16563	Sterimol/B1: 2.56116	Sterimol/B2: 3.31152	Sterimol/B3: 3.56024
Sterimol/B4: 4.29031	Sterimol/L: 10.0254

Surface and Volume Properties
Accessible surface: 323.802	Positive charged surface: 174.652	Negative charged surface: 149.15	Volume: 143.875
Hydrophobic surface: 99.5707	Hydrophilic surface: 224.2313

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.