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NCID-ZINC04403085

 MMsINC code: MMs02384560
Type: Neutral
Formula: C7H14O6
SMILES:   O1CC(O)C(O)C(O)C1(OC)CO
InChI:   InChI=1/C7H14O6/c1-12-7(3-8)6(11)5(10)4(9)2-13-7/h4-6,8-11H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.2497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.183 g/mol  logS: 0.72954  SlogP: -2.5657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264835  Sterimol/B1: 2.33525  Sterimol/B2: 2.42986  Sterimol/B3: 4.27778
  Sterimol/B4: 5.09206  Sterimol/L: 9.79695 
 
 Surface and Volume Properties
  Accessible surface: 360.127  Positive charged surface: 308.303  Negative charged surface: 51.8241  Volume: 166.5
  Hydrophobic surface: 192.554  Hydrophilic surface: 167.573
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02384561
NCID-ZINC04403085