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NCID-ZINC01583676

 MMsINC code: MMs02240498
Type: Neutral
Formula: C14H30O4
SMILES:   O(C(C)C)C(OC(C)C)C(OC(C)C)OC(C)C
InChI:   InChI=1/C14H30O4/c1-9(2)15-13(16-10(3)4)14(17-11(5)6)18-12(7)8/h9-14H,1-8H3

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Potential Energy
Epot(MMFF94)=80.8999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.39 g/mol  logS: -2.54024  SlogP: 3.3386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145485  Sterimol/B1: 2.47863  Sterimol/B2: 2.52175  Sterimol/B3: 4.66292
  Sterimol/B4: 7.40482  Sterimol/L: 12.1054 
 
 Surface and Volume Properties
  Accessible surface: 544.884  Positive charged surface: 386.844  Negative charged surface: 158.039  Volume: 293.75
  Hydrophobic surface: 385.603  Hydrophilic surface: 159.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.