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PUBCHEM-ZINC03651256

 MMsINC code: MMs03034100
Type: Neutral
Formula: C6H11O6P
SMILES:   P(OCC(=O)C(=O)CCC)(O)(O)=O
InChI:   InChI=1/C6H11O6P/c1-2-3-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-55.6167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.122 g/mol  logS: -0.56263  SlogP: -1.0362  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0436284  Sterimol/B1: 3.05728  Sterimol/B2: 3.08555  Sterimol/B3: 3.40648
  Sterimol/B4: 3.5319  Sterimol/L: 14.554 
 
 Surface and Volume Properties
  Accessible surface: 407.352  Positive charged surface: 239.401  Negative charged surface: 167.951  Volume: 169
  Hydrophobic surface: 160.857  Hydrophilic surface: 246.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03034101
PUBCHEM-ZINC03651256