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ACROSORGANICS-ZINC03861773

 MMsINC code: MMs00016112
Type: Neutral
Formula: C7H14O6
SMILES:   O1C(CO)C(O)C(OC)C(O)C1O
InChI:   InChI=1/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.0021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.183 g/mol  logS: 0.90477  SlogP: -2.5673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0956011  Sterimol/B1: 2.70108  Sterimol/B2: 2.77257  Sterimol/B3: 3.13281
  Sterimol/B4: 6.38325  Sterimol/L: 11.4875 
 
 Surface and Volume Properties
  Accessible surface: 376.767  Positive charged surface: 298.936  Negative charged surface: 77.8315  Volume: 168.625
  Hydrophobic surface: 183.515  Hydrophilic surface: 193.252
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.