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PUBCHEM-ZINC05410070

 MMsINC code: MMs03260233
Type: Ionized
Formula: C3H6O9P2-4
SMILES:   P(OCC(O)COP(=O)([O-])[O-])(=O)([O-])[O-]
InChI:   InChI=1/C3H10O9P2/c4-3(1-11-13(5,6)7)2-12-14(8,9)10/h3-4H,1-2H2,(H2,5,6,7)(H2,8,9,10)/p-4

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Potential Energy
Epot(MMFF94)=1.91612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.02 g/mol  logS: 1.15584  SlogP: -6.1025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729256  Sterimol/B1: 3.02401  Sterimol/B2: 3.05667  Sterimol/B3: 3.15228
  Sterimol/B4: 3.69702  Sterimol/L: 13.2052 
 
 Surface and Volume Properties
  Accessible surface: 390.173  Positive charged surface: 118.778  Negative charged surface: 271.395  Volume: 156
  Hydrophobic surface: 77.8928  Hydrophilic surface: 312.2802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 6  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: 0
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Parent related molecule:


MMs03260232
PUBCHEM-ZINC05410070