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PUBCHEM-ZINC05411420

 MMsINC code: MMs03260463
Type: Neutral
Formula: C6H11O8P
SMILES:   P(OCC1OC(C=O)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C6H11O8P/c7-1-3-5(8)6(9)4(14-3)2-13-15(10,11)12/h1,3-6,8-9H,2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-13.4041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.12 g/mol  logS: 0.90547  SlogP: -3.2864  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0956749  Sterimol/B1: 3.14228  Sterimol/B2: 3.37241  Sterimol/B3: 3.80384
  Sterimol/B4: 4.97555  Sterimol/L: 11.8189 
 
 Surface and Volume Properties
  Accessible surface: 413.642  Positive charged surface: 245.386  Negative charged surface: 168.256  Volume: 180.375
  Hydrophobic surface: 95.4458  Hydrophilic surface: 318.1962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03260464
PUBCHEM-ZINC05411420