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PUBCHEM-ZINC06184841

 MMsINC code: MMs03585833
Type: Ionized
Formula: C5H8O6P-
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)/p-1

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Potential Energy
Epot(MMFF94)=-22.2628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.087 g/mol  logS: 0.40765  SlogP: -2.8069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799795  Sterimol/B1: 3.11466  Sterimol/B2: 3.20469  Sterimol/B3: 3.2702
  Sterimol/B4: 3.49433  Sterimol/L: 12.8406 
 
 Surface and Volume Properties
  Accessible surface: 358.989  Positive charged surface: 171.029  Negative charged surface: 187.96  Volume: 148.125
  Hydrophobic surface: 90.8494  Hydrophilic surface: 268.1396
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 2  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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Parent related molecule:


MMs03585832
PUBCHEM-ZINC06184841