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PUBCHEM-ZINC06634236

 MMsINC code: MMs03830981
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)=53.1476 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: 0.113045  Sterimol/B1: 2.93879  Sterimol/B2: 3.70806  Sterimol/B3: 3.72018
  Sterimol/B4: 5.64102  Sterimol/L: 12.8775 
 
 Surface and Volume Properties
  Accessible surface: 431.357  Positive charged surface: 286.952  Negative charged surface: 144.405  Volume: 214
  Hydrophobic surface: 197.462  Hydrophilic surface: 233.895
 
 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


MMs03830982
PUBCHEM-ZINC06634236