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ALFAAESAR-ZINC05224075

 MMsINC code: MMs00025292
Type: Neutral
Formula: C3H10O6P2
SMILES:   P(O)(O)(=O)C(CP(O)(O)=O)C
InChI:   InChI=1/C3H10O6P2/c1-3(11(7,8)9)2-10(4,5)6/h3H,2H2,1H3,(H2,4,5,6)(H2,7,8,9)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=-86.8235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.055 g/mol  logS: 1.42129  SlogP: -2.4101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170721  Sterimol/B1: 1.98224  Sterimol/B2: 3.30956  Sterimol/B3: 3.59711
  Sterimol/B4: 5.39539  Sterimol/L: 11.0626 
 
 Surface and Volume Properties
  Accessible surface: 346.274  Positive charged surface: 179.425  Negative charged surface: 166.848  Volume: 147.75
  Hydrophobic surface: 74.8961  Hydrophilic surface: 271.3779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.