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PUBCHEM-ZINC03606308

 MMsINC code: MMs03020337
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+/m1/s1

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Potential Energy
Epot(MMFF94)=2.92655 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: 0.0505497  Sterimol/B1: 3.65603  Sterimol/B2: 3.72204  Sterimol/B3: 3.74345
  Sterimol/B4: 4.25196  Sterimol/L: 16.0065 
 
 Surface and Volume Properties
  Accessible surface: 474.158  Positive charged surface: 310.507  Negative charged surface: 163.651  Volume: 201.375
  Hydrophobic surface: 133.087  Hydrophilic surface: 341.071
 
 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


MMs03020338
PUBCHEM-ZINC03606308