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PUBCHEM-ZINC06595395

 MMsINC code: MMs03813615
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-/m1/s1

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Potential Energy
Epot(MMFF94)=6.50372 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: 0.110622  Sterimol/B1: 2.1642  Sterimol/B2: 3.58039  Sterimol/B3: 4.09321
  Sterimol/B4: 7.74048  Sterimol/L: 13.8045 
 
 Surface and Volume Properties
  Accessible surface: 470.649  Positive charged surface: 310.125  Negative charged surface: 160.524  Volume: 209
  Hydrophobic surface: 224.653  Hydrophilic surface: 245.996
 
 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.