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APOLLO-ZINC02526251

 MMsINC code: MMs00052840
Type: Neutral
Formula: C8H13F5O
SMILES:   FC(F)(CCCCCCO)C(F)(F)F
InChI:   InChI=1/C8H13F5O/c9-7(10,8(11,12)13)5-3-1-2-4-6-14/h14H,1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.2792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.181 g/mol  logS: -2.49663  SlogP: 3.9666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0495549  Sterimol/B1: 2.20393  Sterimol/B2: 2.63804  Sterimol/B3: 2.6391
  Sterimol/B4: 3.32122  Sterimol/L: 14.6709 
 
 Surface and Volume Properties
  Accessible surface: 403.99  Positive charged surface: 211.764  Negative charged surface: 192.226  Volume: 175.875
  Hydrophobic surface: 193.518  Hydrophilic surface: 210.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.