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PUBCHEM-ZINC04097063

 MMsINC code: MMs03090240
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-22.977 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: 0.117921  Sterimol/B1: 2.4799  Sterimol/B2: 2.5589  Sterimol/B3: 3.62744
  Sterimol/B4: 5.64266  Sterimol/L: 11.3593 
 
 Surface and Volume Properties
  Accessible surface: 382.743  Positive charged surface: 240.643  Negative charged surface: 142.1  Volume: 168.375
  Hydrophobic surface: 100.936  Hydrophilic surface: 281.807
 
 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


MMs03090241
PUBCHEM-ZINC04097063