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PUBCHEM-ZINC06595392

 MMsINC code: MMs03813614
Type: Neutral
Formula: C7H16NO6P
SMILES:   P(OCC(N)C(O)=O)(OCC)(OCC)=O
InChI:   InChI=1/C7H16NO6P/c1-3-12-15(11,13-4-2)14-5-6(8)7(9)10/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=7.10673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.18 g/mol  logS: -0.20756  SlogP: -0.4742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0757246  Sterimol/B1: 2.09342  Sterimol/B2: 2.99509  Sterimol/B3: 3.93725
  Sterimol/B4: 7.87315  Sterimol/L: 13.539 
 
 Surface and Volume Properties
  Accessible surface: 476.786  Positive charged surface: 318.781  Negative charged surface: 158.004  Volume: 208.875
  Hydrophobic surface: 225.211  Hydrophilic surface: 251.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.