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NCID-ZINC05732749

 MMsINC code: MMs02491694
Type: Neutral
Formula: C14H22O4
SMILES:   O(C(=O)C=1CCCCC=1C(OC(C)C)=O)C(C)C
InChI:   InChI=1/C14H22O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h9-10H,5-8H2,1-4H3

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Potential Energy
Epot(MMFF94)=32.647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.326 g/mol  logS: -3.18384  SlogP: 2.7602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153523  Sterimol/B1: 2.49428  Sterimol/B2: 3.13847  Sterimol/B3: 4.17557
  Sterimol/B4: 9.5988  Sterimol/L: 11.6238 
 
 Surface and Volume Properties
  Accessible surface: 509.165  Positive charged surface: 365.822  Negative charged surface: 143.343  Volume: 260.25
  Hydrophobic surface: 391.697  Hydrophilic surface: 117.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.