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NCID-ZINC04545929

 MMsINC code: MMs02391118
Type: Neutral
Formula: C6H13O9P
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)/t3-,4+,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-3.54172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.135 g/mol  logS: 1.60203  SlogP: -4.332  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0658966  Sterimol/B1: 3.03065  Sterimol/B2: 3.23839  Sterimol/B3: 3.44397
  Sterimol/B4: 3.51706  Sterimol/L: 14.722 
 
 Surface and Volume Properties
  Accessible surface: 431.156  Positive charged surface: 252.927  Negative charged surface: 178.229  Volume: 197.5
  Hydrophobic surface: 93.8719  Hydrophilic surface: 337.2841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  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


MMs02391119
NCID-ZINC04545929