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PUBCHEM-ZINC03869636

 MMsINC code: MMs03078731
Type: Ionized
Formula: C6H8O10P-3
SMILES:   P(OCC(O)C(O)C(O)C(=O)C(=O)[O-])(=O)([O-])[O-]
InChI:   InChI=1/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-4,7-9H,1H2,(H,11,12)(H2,13,14,15)/p-3/t2-,3+,4-/m0/s1

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Potential Energy
Epot(MMFF94)=44.8876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.094 g/mol  logS: 0.70136  SlogP: -6.8368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0859692  Sterimol/B1: 3.09103  Sterimol/B2: 3.35863  Sterimol/B3: 3.73593
  Sterimol/B4: 3.84827  Sterimol/L: 13.7063 
 
 Surface and Volume Properties
  Accessible surface: 415.535  Positive charged surface: 150.482  Negative charged surface: 265.053  Volume: 185.5
  Hydrophobic surface: 66.7948  Hydrophilic surface: 348.7402
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 5  Basic groups: 0
  Chiral centers: 3
 
 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:


MMs03078730
PUBCHEM-ZINC03869636