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PUBCHEM-ZINC03165654

 MMsINC code: MMs03004186
Type: Ionized
Formula: C6H12O4P-
SMILES:   P(OCC)(=O)(CCC(=O)[O-])C
InChI:   InChI=1/C6H13O4P/c1-3-10-11(2,9)5-4-6(7)8/h3-5H2,1-2H3,(H,7,8)/p-1/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.0201617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.132 g/mol  logS: 0.17776  SlogP: -0.9994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124449  Sterimol/B1: 2.48624  Sterimol/B2: 2.62529  Sterimol/B3: 4.30978
  Sterimol/B4: 6.13323  Sterimol/L: 11.3685 
 
 Surface and Volume Properties
  Accessible surface: 377.284  Positive charged surface: 228.368  Negative charged surface: 148.916  Volume: 161.75
  Hydrophobic surface: 206.316  Hydrophilic surface: 170.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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:


MMs03004185
PUBCHEM-ZINC03165654