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NCID-ZINC04545927

 MMsINC code: MMs02391115
Type: Ionized
Formula: C6H11O9P-2
SMILES:   P(OCC(O)C(O)C(O)C(O)C=O)(=O)([O-])[O-]
InChI:   InChI=1/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/p-2/t3-,4+,5-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=-3.71913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.119 g/mol  logS: 1.45899  SlogP: -5.596  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0611362  Sterimol/B1: 2.58375  Sterimol/B2: 3.08968  Sterimol/B3: 3.15837
  Sterimol/B4: 4.55561  Sterimol/L: 14.0609 
 
 Surface and Volume Properties
  Accessible surface: 398.329  Positive charged surface: 196.939  Negative charged surface: 201.391  Volume: 185.75
  Hydrophobic surface: 115.932  Hydrophilic surface: 282.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 3  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Parent related molecule:


MMs02391114
NCID-ZINC04545927