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PUBCHEM-ZINC06067413

 MMsINC code: MMs03520361
Type: Neutral
Formula: C10H16O6
SMILES:   O1C2(OCCC2(OC12CCOC2(O)C)O)C
InChI:   InChI=1/C10H16O6/c1-7(11)10(4-6-13-7)15-8(2)9(12,16-10)3-5-14-8/h11-12H,3-6H2,1-2H3/t7-,8+,9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=136.805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.232 g/mol  logS: -1.48434  SlogP: -0.3166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158261  Sterimol/B1: 2.19192  Sterimol/B2: 2.53702  Sterimol/B3: 4.00856
  Sterimol/B4: 5.96963  Sterimol/L: 10.5689 
 
 Surface and Volume Properties
  Accessible surface: 388.9  Positive charged surface: 277.49  Negative charged surface: 111.41  Volume: 199
  Hydrophobic surface: 240.176  Hydrophilic surface: 148.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.