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SIAL-ZINC01529780

 MMsINC code: MMs03913801
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)=-28.6163 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: 0.162369  Sterimol/B1: 2.37849  Sterimol/B2: 3.38878  Sterimol/B3: 3.54219
  Sterimol/B4: 5.01989  Sterimol/L: 11.9498 
 
 Surface and Volume Properties
  Accessible surface: 382.278  Positive charged surface: 249.84  Negative charged surface: 132.438  Volume: 167.625
  Hydrophobic surface: 102.293  Hydrophilic surface: 279.985
 
 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


MMs03913802
SIAL-ZINC01529780