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PUBCHEM-ZINC03869231

 MMsINC code: MMs03078340
Type: Neutral
Formula: C3H7O7P
SMILES:   P(OC(C(O)=O)CO)(O)(O)=O
InChI:   InChI=1/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-57.9772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.056 g/mol  logS: 1.03112  SlogP: -2.529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144512  Sterimol/B1: 2.34267  Sterimol/B2: 2.63378  Sterimol/B3: 3.1243
  Sterimol/B4: 4.83501  Sterimol/L: 9.8837 
 
 Surface and Volume Properties
  Accessible surface: 337.771  Positive charged surface: 186.958  Negative charged surface: 150.813  Volume: 127.5
  Hydrophobic surface: 52.1034  Hydrophilic surface: 285.6676
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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


MMs03078341
PUBCHEM-ZINC03869231