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PUBCHEM-ZINC05751440

 MMsINC code: MMs03370836
Type: Neutral
Formula: C10H22O4
SMILES:   O(C(COC(CO)C)C)CC(OC)C
InChI:   InChI=1/C10H22O4/c1-8(5-11)13-7-10(3)14-6-9(2)12-4/h8-11H,5-7H2,1-4H3/t8-,9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=58.7697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.282 g/mol  logS: -0.79755  SlogP: 0.8238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180724  Sterimol/B1: 2.16999  Sterimol/B2: 2.76993  Sterimol/B3: 5.0014
  Sterimol/B4: 6.30222  Sterimol/L: 13.1155 
 
 Surface and Volume Properties
  Accessible surface: 471.777  Positive charged surface: 392.792  Negative charged surface: 78.9851  Volume: 223.125
  Hydrophobic surface: 359.156  Hydrophilic surface: 112.621
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.