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NCID-ZINC05179885

 MMsINC code: MMs02446260
Type: Neutral
Formula: C11H16O6
SMILES:   O1C2C3OC4OC(C3OC2OC1(C)C)COC4
InChI:   InChI=1/C11H16O6/c1-11(2)16-9-8-7(15-10(9)17-11)5-3-12-4-6(13-5)14-8/h5-10H,3-4H2,1-2H3/t5-,6-,7+,8-,9+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.243 g/mol  logS: -1.51358  SlogP: 0.0031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198072  Sterimol/B1: 2.12957  Sterimol/B2: 3.43063  Sterimol/B3: 3.95621
  Sterimol/B4: 5.41756  Sterimol/L: 11.1811 
 
 Surface and Volume Properties
  Accessible surface: 403.162  Positive charged surface: 303.291  Negative charged surface: 99.871  Volume: 210
  Hydrophobic surface: 276.497  Hydrophilic surface: 126.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.