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PUBCHEM-ZINC05410070

 MMsINC code: MMs03260232
Type: Neutral
Formula: C3H10O9P2
SMILES:   P(OCC(O)COP(O)(O)=O)(O)(O)=O
InChI:   InChI=1/C3H10O9P2/c4-3(1-11-13(5,6)7)2-12-14(8,9)10/h3-4H,1-2H2,(H2,5,6,7)(H2,8,9,10)

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Potential Energy
Epot(MMFF94)=-125.35 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.052 g/mol  logS: 1.44192  SlogP: -3.5745  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577045  Sterimol/B1: 2.79015  Sterimol/B2: 3.312  Sterimol/B3: 3.3978
  Sterimol/B4: 3.6521  Sterimol/L: 14.3394 
 
 Surface and Volume Properties
  Accessible surface: 426.595  Positive charged surface: 229.716  Negative charged surface: 196.879  Volume: 171.375
  Hydrophobic surface: 74.4292  Hydrophilic surface: 352.1658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03260233
PUBCHEM-ZINC05410070