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NCID-ZINC04726112

 MMsINC code: MMs02398149
Type: Neutral
Formula: C7H14O6
SMILES:   OC1(C)C(O)C(O)C(O)C(O)C1O
InChI:   InChI=1/C7H14O6/c1-7(13)5(11)3(9)2(8)4(10)6(7)12/h2-6,8-13H,1H3/t2-,3+,4-,5+,6-,7-

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Potential Energy
Epot(MMFF94)=97.351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.183 g/mol  logS: 1.14865  SlogP: -3.4445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.396516  Sterimol/B1: 3.0068  Sterimol/B2: 3.8516  Sterimol/B3: 4.15538
  Sterimol/B4: 4.23398  Sterimol/L: 8.81936 
 
 Surface and Volume Properties
  Accessible surface: 347.03  Positive charged surface: 264.89  Negative charged surface: 82.1401  Volume: 163
  Hydrophobic surface: 117.13  Hydrophilic surface: 229.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.