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CHEMSTAR-ZINC03165237

 MMsINC code: MMs01085256
Type: Neutral
Formula: C4H7O6P
SMILES:   P(O)(=O)(CC(O)=O)CC(O)=O
InChI:   InChI=1/C4H7O6P/c5-3(6)1-11(9,10)2-4(7)8/h1-2H2,(H,5,6)(H,7,8)(H,9,10)

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Potential Energy
Epot(MMFF94)=-19.6399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.068 g/mol  logS: 0.99668  SlogP: -1.6442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134108  Sterimol/B1: 2.39604  Sterimol/B2: 2.86112  Sterimol/B3: 3.70548
  Sterimol/B4: 4.10999  Sterimol/L: 11.1352 
 
 Surface and Volume Properties
  Accessible surface: 334.744  Positive charged surface: 176.635  Negative charged surface: 158.11  Volume: 133.875
  Hydrophobic surface: 79.8792  Hydrophilic surface: 254.8648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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: 1
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Ions/Tautomers related molecules


MMs01085257
CHEMSTAR-ZINC03165237