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NCID-ZINC01672477

 MMsINC code: MMs02308528
Type: Neutral
Formula: C14H24O4
SMILES:   O(C(C(C(OCC)=O)C)C1CCCCC1)C(=O)C
InChI:   InChI=1/C14H24O4/c1-4-17-14(16)10(2)13(18-11(3)15)12-8-6-5-7-9-12/h10,12-13H,4-9H2,1-3H3/t10-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=29.4668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -2.99951  SlogP: 2.6976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232516  Sterimol/B1: 2.92977  Sterimol/B2: 3.26164  Sterimol/B3: 4.64458
  Sterimol/B4: 8.4928  Sterimol/L: 12.2369 
 
 Surface and Volume Properties
  Accessible surface: 506.573  Positive charged surface: 369.417  Negative charged surface: 137.156  Volume: 264.75
  Hydrophobic surface: 423.233  Hydrophilic surface: 83.34
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.