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PUBCHEM-ZINC05849638

 MMsINC code: MMs03415994
Type: Ionized
Formula: C5H9O5P-2
SMILES:   P(OCC1OCCC1)(=O)([O-])[O-]
InChI:   InChI=1/C5H11O5P/c6-11(7,8)10-4-5-2-1-3-9-5/h5H,1-4H2,(H2,6,7,8)/p-2/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=7.94932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.096 g/mol  logS: -0.01364  SlogP: -2.0595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152382  Sterimol/B1: 2.59423  Sterimol/B2: 3.0042  Sterimol/B3: 3.41988
  Sterimol/B4: 3.62088  Sterimol/L: 10.7848 
 
 Surface and Volume Properties
  Accessible surface: 336.067  Positive charged surface: 180.758  Negative charged surface: 155.309  Volume: 141.75
  Hydrophobic surface: 186.035  Hydrophilic surface: 150.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 3  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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Parent related molecule:


MMs03415993
PUBCHEM-ZINC05849638