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PUBCHEM-ZINC06184841

 MMsINC code: MMs03585832
Type: Neutral
Formula: C5H9O6P
SMILES:   P(O)(O)(=O)CCCC(=O)C(O)=O
InChI:   InChI=1/C5H9O6P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-3H2,(H,7,8)(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-25.0088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.095 g/mol  logS: 0.6681  SlogP: -1.4722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0656956  Sterimol/B1: 3.05883  Sterimol/B2: 3.22876  Sterimol/B3: 3.25314
  Sterimol/B4: 3.26095  Sterimol/L: 13.2524 
 
 Surface and Volume Properties
  Accessible surface: 365.937  Positive charged surface: 201.309  Negative charged surface: 164.629  Volume: 151.625
  Hydrophobic surface: 91.2531  Hydrophilic surface: 274.6839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03585833
PUBCHEM-ZINC06184841