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NCID-ZINC01683727

 MMsINC code: MMs02317305
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+/m0/s1

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Potential Energy
Epot(MMFF94)=16.9743 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: 0.141446  Sterimol/B1: 2.57658  Sterimol/B2: 2.84816  Sterimol/B3: 3.60025
  Sterimol/B4: 4.62439  Sterimol/L: 13.1861 
 
 Surface and Volume Properties
  Accessible surface: 401.214  Positive charged surface: 195.825  Negative charged surface: 205.389  Volume: 186
  Hydrophobic surface: 99.3111  Hydrophilic surface: 301.9029
 
 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:


MMs02317304
NCID-ZINC01683727