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PUBCHEM-ZINC05759855

 MMsINC code: MMs03373494
Type: Neutral
Formula: C6H10F3NO2
SMILES:   FC(N(F)F)(CC(C)C)C(O)=O
InChI:   InChI=1/C6H10F3NO2/c1-4(2)3-6(7,5(11)12)10(8)9/h4H,3H2,1-2H3,(H,11,12)/t6-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.2774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.145 g/mol  logS: -1.87605  SlogP: 2.2738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.274315  Sterimol/B1: 2.44327  Sterimol/B2: 3.25713  Sterimol/B3: 3.74569
  Sterimol/B4: 4.54321  Sterimol/L: 9.92634 
 
 Surface and Volume Properties
  Accessible surface: 338.357  Positive charged surface: 168.244  Negative charged surface: 170.113  Volume: 146.75
  Hydrophobic surface: 194.998  Hydrophilic surface: 143.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  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


MMs03373495
PUBCHEM-ZINC05759855