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APOLLO-ZINC04097392

 MMsINC code: MMs00056755
Type: Neutral
Formula: C3H2F6O
SMILES:   FC(OC(F)F)C(F)(F)F
InChI:   InChI=1/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.4155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.036 g/mol  logS: -1.10446  SlogP: 3.3432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178462  Sterimol/B1: 2.56354  Sterimol/B2: 2.82521  Sterimol/B3: 3.24631
  Sterimol/B4: 3.28459  Sterimol/L: 8.30958 
 
 Surface and Volume Properties
  Accessible surface: 267.243  Positive charged surface: 63.1514  Negative charged surface: 204.091  Volume: 93.125
  Hydrophobic surface: 36.9015  Hydrophilic surface: 230.3415
 
 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.