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PUBCHEM-ZINC03870274

 MMsINC code: MMs03079416
Type: Ionized
Formula: C5H8O11P2-4
SMILES:   P(OCC(O)C(O)C(=O)COP(=O)([O-])[O-])(=O)([O-])[O-]
InChI:   InChI=1/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/p-4/t3-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.54979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.056 g/mol  logS: 1.02703  SlogP: -7.1725  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0683839  Sterimol/B1: 2.87625  Sterimol/B2: 3.39973  Sterimol/B3: 3.71294
  Sterimol/B4: 3.97743  Sterimol/L: 15.0176 
 
 Surface and Volume Properties
  Accessible surface: 445.739  Positive charged surface: 146.688  Negative charged surface: 299.051  Volume: 198.75
  Hydrophobic surface: 85.23  Hydrophilic surface: 360.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 6  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Parent related molecule:


MMs03079415
PUBCHEM-ZINC03870274