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ENAMINE-ZINC03165238

 MMsINC code: MMs01292348
Type: Neutral
Formula: C6H11O6P
SMILES:   P(O)(=O)(CC(OC)=O)CC(OC)=O
InChI:   InChI=1/C6H11O6P/c1-11-5(7)3-13(9,10)4-6(8)12-2/h3-4H2,1-2H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=-1.27502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.122 g/mol  logS: 0.17202  SlogP: -1.4674  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0802007  Sterimol/B1: 2.42677  Sterimol/B2: 3.02794  Sterimol/B3: 3.83434
  Sterimol/B4: 4.23449  Sterimol/L: 13.5994 
 
 Surface and Volume Properties
  Accessible surface: 407.301  Positive charged surface: 285.289  Negative charged surface: 122.012  Volume: 172.875
  Hydrophobic surface: 261.398  Hydrophilic surface: 145.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01292349
ENAMINE-ZINC03165238