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APOLLO-ZINC02566660

 MMsINC code: MMs00054205
Type: Neutral
Formula: C10H18F3O5P
SMILES:   P(OC(C(OCC)=O)C(F)(F)F)(OCCCC)(=O)C
InChI:   InChI=1/C10H18F3O5P/c1-4-6-7-17-19(3,15)18-8(10(11,12)13)9(14)16-5-2/h8H,4-7H2,1-3H3/t8-,19-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.6278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.217 g/mol  logS: -2.47395  SlogP: 2.4863  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0840271  Sterimol/B1: 2.54564  Sterimol/B2: 3.63098  Sterimol/B3: 4.32209
  Sterimol/B4: 8.26876  Sterimol/L: 15.0965 
 
 Surface and Volume Properties
  Accessible surface: 535.596  Positive charged surface: 317.645  Negative charged surface: 217.951  Volume: 251
  Hydrophobic surface: 318.267  Hydrophilic surface: 217.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.