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PUBCHEM-ZINC06634241

 MMsINC code: MMs03830987
Type: Neutral
Formula: C10H16O7
SMILES:   O1C2OC(OC2C(O)C1C(O)CC(O)=O)(C)C
InChI:   InChI=1/C10H16O7/c1-10(2)16-8-6(14)7(15-9(8)17-10)4(11)3-5(12)13/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)/t4-,6+,7+,8+,9-/m1/s1

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Potential Energy
Epot(MMFF94)=76.8381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.231 g/mol  logS: -0.37993  SlogP: -0.9407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0987418  Sterimol/B1: 2.1824  Sterimol/B2: 2.76087  Sterimol/B3: 3.69886
  Sterimol/B4: 6.03419  Sterimol/L: 14.1633 
 
 Surface and Volume Properties
  Accessible surface: 444.722  Positive charged surface: 294.809  Negative charged surface: 149.912  Volume: 212.5
  Hydrophobic surface: 186.364  Hydrophilic surface: 258.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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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Ions/Tautomers related molecules


MMs03830988
PUBCHEM-ZINC06634241