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PUBCHEM-ZINC04096191

 MMsINC code: MMs03089778
Type: Neutral
Formula: C5H11O8P
SMILES:   P(OC1OCC(O)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1

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Potential Energy
Epot(MMFF94)=-27.5331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.109 g/mol  logS: 1.25983  SlogP: -3.5355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180064  Sterimol/B1: 2.39773  Sterimol/B2: 2.67369  Sterimol/B3: 3.99353
  Sterimol/B4: 5.92386  Sterimol/L: 10.3582 
 
 Surface and Volume Properties
  Accessible surface: 379.285  Positive charged surface: 236.363  Negative charged surface: 142.922  Volume: 166.375
  Hydrophobic surface: 94.2425  Hydrophilic surface: 285.0425
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03089779
PUBCHEM-ZINC04096191