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NCID-ZINC04535995

 MMsINC code: MMs02390269
Type: Neutral
Formula: C10H16O7
SMILES:   O1C2OC(OC2C(O)C1COC(OC)=O)(C)C
InChI:   InChI=1/C10H16O7/c1-10(2)16-7-6(11)5(15-8(7)17-10)4-14-9(12)13-3/h5-8,11H,4H2,1-3H3/t5-,6-,7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=79.0654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.231 g/mol  logS: -1.1897  SlogP: 0.0067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659399  Sterimol/B1: 2.18059  Sterimol/B2: 3.88385  Sterimol/B3: 4.22454
  Sterimol/B4: 4.62554  Sterimol/L: 15.4498 
 
 Surface and Volume Properties
  Accessible surface: 465.386  Positive charged surface: 336.578  Negative charged surface: 128.809  Volume: 216.5
  Hydrophobic surface: 266.766  Hydrophilic surface: 198.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.