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PUBCHEM-ZINC03869511

 MMsINC code: MMs03078606
Type: Ionized
Formula: C6H10O8P-
SMILES:   P1(OC2C(O1)C(O)C(O)C(O)C2O)(=O)[O-]
InChI:   InChI=1/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)/p-1/t1-,2+,3-,4+,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=32.3777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.112 g/mol  logS: 0.9202  SlogP: -4.3742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276013  Sterimol/B1: 2.57681  Sterimol/B2: 3.30648  Sterimol/B3: 3.99921
  Sterimol/B4: 5.23788  Sterimol/L: 10.4624 
 
 Surface and Volume Properties
  Accessible surface: 354.673  Positive charged surface: 180.159  Negative charged surface: 174.514  Volume: 167.75
  Hydrophobic surface: 92.7101  Hydrophilic surface: 261.9629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 2  Basic groups: 0
  Chiral centers: 6
 
 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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Parent related molecule:


MMs03078605
PUBCHEM-ZINC03869511