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PUBCHEM-ZINC06854838

 MMsINC code: MMs03874505
Type: Neutral
Formula: C5H10F3NO
SMILES:   FC(F)(F)COCCCN
InChI:   InChI=1/C5H10F3NO/c6-5(7,8)4-10-3-1-2-9/h1-4,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.5991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.135 g/mol  logS: -0.7093  SlogP: 1.334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618841  Sterimol/B1: 2.48401  Sterimol/B2: 2.65303  Sterimol/B3: 2.67792
  Sterimol/B4: 3.16133  Sterimol/L: 12.1061 
 
 Surface and Volume Properties
  Accessible surface: 340.478  Positive charged surface: 207.634  Negative charged surface: 132.843  Volume: 130.5
  Hydrophobic surface: 156.118  Hydrophilic surface: 184.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03874506
PUBCHEM-ZINC06854838