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PUBCHEM-ZINC05112559

 MMsINC code: MMs03200992
Type: Neutral
Formula: C3H4FO6P
SMILES:   P(O\C(=C/F)\C(O)=O)(O)(O)=O
InChI:   InChI=1/C3H4FO6P/c4-1-2(3(5)6)10-11(7,8)9/h1H,(H,5,6)(H2,7,8,9)/b2-1-

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Potential Energy
Epot(MMFF94)=-50.6894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.031 g/mol  logS: 0.28855  SlogP: -0.9701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685429  Sterimol/B1: 2.44115  Sterimol/B2: 2.5847  Sterimol/B3: 2.98964
  Sterimol/B4: 5.23182  Sterimol/L: 9.81779 
 
 Surface and Volume Properties
  Accessible surface: 305.485  Positive charged surface: 125.352  Negative charged surface: 180.133  Volume: 121.625
  Hydrophobic surface: 74.2495  Hydrophilic surface: 231.2355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs03200993
PUBCHEM-ZINC05112559