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PUBCHEM-ZINC01532855

 MMsINC code: MMs02813766
Type: Neutral
Formula: C5H11O8P
SMILES:   P(OCC(O)C(O)C(O)C=O)(O)(O)=O
InChI:   InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-19.6552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.109 g/mol  logS: 1.39949  SlogP: -3.6929  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0799092  Sterimol/B1: 2.96985  Sterimol/B2: 3.06793  Sterimol/B3: 3.378
  Sterimol/B4: 3.44182  Sterimol/L: 13.4465 
 
 Surface and Volume Properties
  Accessible surface: 396.02  Positive charged surface: 231.252  Negative charged surface: 164.768  Volume: 171.75
  Hydrophobic surface: 93.3422  Hydrophilic surface: 302.6778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  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: 1
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Ions/Tautomers related molecules


MMs02813767
PUBCHEM-ZINC01532855