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PUBCHEM-ZINC04544688

 MMsINC code: MMs03131730
Type: Ionized
Formula: C6H10FO8P-2
SMILES:   P(OCC(O)C(O)C(O)C(F)C=O)(=O)([O-])[O-]
InChI:   InChI=1/C6H12FO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,9-11H,2H2,(H2,12,13,14)/p-2/t3-,4+,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-8.34511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.11 g/mol  logS: 0.93276  SlogP: -4.1989  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0969417  Sterimol/B1: 2.48884  Sterimol/B2: 2.97877  Sterimol/B3: 3.2667
  Sterimol/B4: 4.56078  Sterimol/L: 13.3776 
 
 Surface and Volume Properties
  Accessible surface: 394.331  Positive charged surface: 176.798  Negative charged surface: 217.533  Volume: 181.125
  Hydrophobic surface: 111.273  Hydrophilic surface: 283.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 3  Basic groups: 0
  Chiral centers: 4
 
 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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Parent related molecule:


MMs03131729
PUBCHEM-ZINC04544688