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PUBCHEM-ZINC06385664

 MMsINC code: MMs03699896
Type: Neutral
Formula: C7H16NO6P
SMILES:   P(OCCNC)(OCC(OCC)=O)(O)=O
InChI:   InChI=1/C7H16NO6P/c1-3-12-7(9)6-14-15(10,11)13-5-4-8-2/h8H,3-6H2,1-2H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=-23.6407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.18 g/mol  logS: -0.02308  SlogP: -1.1677  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0312273  Sterimol/B1: 2.96434  Sterimol/B2: 3.44002  Sterimol/B3: 3.77662
  Sterimol/B4: 5.26668  Sterimol/L: 16.4163 
 
 Surface and Volume Properties
  Accessible surface: 495.537  Positive charged surface: 372.88  Negative charged surface: 122.657  Volume: 210.25
  Hydrophobic surface: 312.076  Hydrophilic surface: 183.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.