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PUBCHEM-ZINC06491507

 MMsINC code: MMs03765126
Type: Neutral
Formula: C3H7O6P
SMILES:   P(OC(C(O)=O)C)(O)(O)=O
InChI:   InChI=1/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-66.6327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.057 g/mol  logS: 0.50137  SlogP: -1.5014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111706  Sterimol/B1: 2.33675  Sterimol/B2: 2.78366  Sterimol/B3: 3.06781
  Sterimol/B4: 4.93354  Sterimol/L: 9.83759 
 
 Surface and Volume Properties
  Accessible surface: 320.705  Positive charged surface: 167.91  Negative charged surface: 152.796  Volume: 122.875
  Hydrophobic surface: 63.8007  Hydrophilic surface: 256.9043
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03765127
PUBCHEM-ZINC06491507