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PUBCHEM-ZINC03646275

 MMsINC code: MMs03032891
Type: Neutral
Formula: C6H14NO7P
SMILES:   P(OCC(O)CO)(O)(=O)CNCC(O)=O
InChI:   InChI=1/C6H14NO7P/c8-2-5(9)3-14-15(12,13)4-7-1-6(10)11/h5,7-9H,1-4H2,(H,10,11)(H,12,13)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=55.5959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.152 g/mol  logS: 1.6706  SlogP: -2.8969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532431  Sterimol/B1: 2.66653  Sterimol/B2: 3.17437  Sterimol/B3: 3.29983
  Sterimol/B4: 4.40245  Sterimol/L: 15.81 
 
 Surface and Volume Properties
  Accessible surface: 451.527  Positive charged surface: 307.638  Negative charged surface: 143.888  Volume: 197.875
  Hydrophobic surface: 156.987  Hydrophilic surface: 294.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  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: 1
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Ions/Tautomers related molecules


MMs03032892
PUBCHEM-ZINC03646275