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AURORAFEINCHEMIE-ZINC04073952

 MMsINC code: MMs00466729
Type: Neutral
Formula: C7H14O6
SMILES:   O(C)C1C(O)C(O)C(O)C(O)C1O
InChI:   InChI=1/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5-,6-,7+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.9506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.183 g/mol  logS: 1.13068  SlogP: -3.1805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.298536  Sterimol/B1: 2.51548  Sterimol/B2: 3.85667  Sterimol/B3: 4.71346
  Sterimol/B4: 5.05925  Sterimol/L: 9.76769 
 
 Surface and Volume Properties
  Accessible surface: 357.547  Positive charged surface: 278.943  Negative charged surface: 78.6033  Volume: 166.75
  Hydrophobic surface: 154.129  Hydrophilic surface: 203.418
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.