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PUBCHEM-ZINC05829640

 MMsINC code: MMs03404693
Type: Ionized
Formula: C6H13NO8P-
SMILES:   P(OCC([NH3+])C(=O)[O-])(OCC(O)CO)(=O)[O-]
InChI:   InChI=1/C6H14NO8P/c7-5(6(10)11)3-15-16(12,13)14-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)(H,12,13)/p-1/t4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=-47.6144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.143 g/mol  logS: 0.88954  SlogP: -5.8686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789697  Sterimol/B1: 2.9696  Sterimol/B2: 2.99448  Sterimol/B3: 4.28845
  Sterimol/B4: 4.53662  Sterimol/L: 14.3686 
 
 Surface and Volume Properties
  Accessible surface: 435.262  Positive charged surface: 263.63  Negative charged surface: 171.632  Volume: 195.25
  Hydrophobic surface: 153.459  Hydrophilic surface: 281.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 4  Basic groups: 1
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Parent related molecule:


MMs03404692
PUBCHEM-ZINC05829640