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PUBCHEM-ZINC04099160

 MMsINC code: MMs03091439
Type: Neutral
Formula: C9H16O9
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC(C(O)=O)CO
InChI:   InChI=1/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7+,9-/m1/s1

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Potential Energy
Epot(MMFF94)=86.7908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.218 g/mol  logS: 1.11147  SlogP: -3.7516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219799  Sterimol/B1: 2.9663  Sterimol/B2: 3.34177  Sterimol/B3: 3.78469
  Sterimol/B4: 6.77657  Sterimol/L: 11.4233 
 
 Surface and Volume Properties
  Accessible surface: 440.251  Positive charged surface: 324.64  Negative charged surface: 115.612  Volume: 217
  Hydrophobic surface: 133.98  Hydrophilic surface: 306.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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


MMs03091440
PUBCHEM-ZINC04099160