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PUBCHEM-ZINC03870802

 MMsINC code: MMs03079918
Type: Neutral
Formula: C6H16NO8P
SMILES:   P(OCC(O)C(O)C(O)C(N)CO)(O)(O)=O
InChI:   InChI=1/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4-,5+,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-3.74618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.167 g/mol  logS: 1.94322  SlogP: -4.5722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0689665  Sterimol/B1: 2.4823  Sterimol/B2: 3.41712  Sterimol/B3: 3.56618
  Sterimol/B4: 4.11135  Sterimol/L: 15.4693 
 
 Surface and Volume Properties
  Accessible surface: 451.931  Positive charged surface: 296.057  Negative charged surface: 155.874  Volume: 205.625
  Hydrophobic surface: 107.548  Hydrophilic surface: 344.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03079919
PUBCHEM-ZINC03870802