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PUBCHEM-ZINC05829640

 MMsINC code: MMs03404692
Type: Neutral
Formula: C6H14NO8P
SMILES:   P(OCC(N)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)/t4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=3.18396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.151 g/mol  logS: 1.19712  SlogP: -3.1851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598958  Sterimol/B1: 2.97303  Sterimol/B2: 3.49317  Sterimol/B3: 4.08261
  Sterimol/B4: 4.20614  Sterimol/L: 15.8821 
 
 Surface and Volume Properties
  Accessible surface: 471.824  Positive charged surface: 308.652  Negative charged surface: 163.172  Volume: 205
  Hydrophobic surface: 135.429  Hydrophilic surface: 336.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03404693
PUBCHEM-ZINC05829640