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NCID-ZINC06018815

 MMsINC code: MMs02517692
Type: Neutral
Formula: C6H11F2O8P
SMILES:   P(OC1OC(C(F)F)C(O)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C6H11F2O8P/c7-5(8)4-2(10)1(9)3(11)6(15-4)16-17(12,13)14/h1-6,9-11H,(H2,12,13,14)/t1-,2-,3+,4+,6+/m0/s1

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Potential Energy
Epot(MMFF94)=-4.80804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.116 g/mol  logS: 0.73172  SlogP: -2.4819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195541  Sterimol/B1: 2.34385  Sterimol/B2: 3.17352  Sterimol/B3: 3.91677
  Sterimol/B4: 6.33958  Sterimol/L: 11.1509 
 
 Surface and Volume Properties
  Accessible surface: 413.128  Positive charged surface: 235.553  Negative charged surface: 177.575  Volume: 189.375
  Hydrophobic surface: 86.9658  Hydrophilic surface: 326.1622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs02517693
NCID-ZINC06018815