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PUBCHEM-ZINC06021260

 MMsINC code: MMs03496470
Type: Ionized
Formula: C7H12NO6P-2
SMILES:   P(=O)([O-])(CCC([NH3+])C(=O)[O-])CCC(=O)[O-]
InChI:   InChI=1/C7H14NO6P/c8-5(7(11)12)1-3-15(13,14)4-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14)/p-2/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=-30.9363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.148 g/mol  logS: 0.6536  SlogP: -5.5549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110892  Sterimol/B1: 2.92702  Sterimol/B2: 3.33527  Sterimol/B3: 3.84295
  Sterimol/B4: 4.62811  Sterimol/L: 12.872 
 
 Surface and Volume Properties
  Accessible surface: 408.282  Positive charged surface: 207.231  Negative charged surface: 201.052  Volume: 187.5
  Hydrophobic surface: 135.087  Hydrophilic surface: 273.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  Basic groups: 1
  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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MMs03496469
PUBCHEM-ZINC06021260