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PUBCHEM-ZINC05829547

 MMsINC code: MMs03404637
Type: Neutral
Formula: C3H7O6P
SMILES:   P(O)(O)(=O)CC(O)C(O)=O
InChI:   InChI=1/C3H7O6P/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-38.2152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.057 g/mol  logS: 1.28568  SlogP: -2.4606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150435  Sterimol/B1: 2.37813  Sterimol/B2: 2.98247  Sterimol/B3: 3.64565
  Sterimol/B4: 3.66522  Sterimol/L: 9.95295 
 
 Surface and Volume Properties
  Accessible surface: 315.845  Positive charged surface: 172.977  Negative charged surface: 142.867  Volume: 121
  Hydrophobic surface: 46.9723  Hydrophilic surface: 268.8727
 
 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


MMs03404638
PUBCHEM-ZINC05829547