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PUBCHEM-ZINC03812964

 MMsINC code: MMs03076967
Type: Neutral
Formula: C3H2ClF5O
SMILES:   ClC(F)C(F)(F)OC(F)F
InChI:   InChI=1/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H/t1-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.3384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.491 g/mol  logS: -1.54605  SlogP: 3.6125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175354  Sterimol/B1: 2.55642  Sterimol/B2: 2.70386  Sterimol/B3: 3.16957
  Sterimol/B4: 3.28356  Sterimol/L: 9.22529 
 
 Surface and Volume Properties
  Accessible surface: 283.37  Positive charged surface: 67.3898  Negative charged surface: 215.98  Volume: 105.5
  Hydrophobic surface: 43.4498  Hydrophilic surface: 239.9202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.