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NCID-ZINC05664548

 MMsINC code: MMs02485221
Type: Neutral
Formula: C14H22O4
SMILES:   O(C(=O)C)C1CC2C(C)(C)C1(CC2OC(=O)C)C
InChI:   InChI=1/C14H22O4/c1-8(15)17-11-7-14(5)12(18-9(2)16)6-10(11)13(14,3)4/h10-12H,6-7H2,1-5H3/t10-,11+,12+,14-/m0/s1

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Potential Energy
Epot(MMFF94)=85.1135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.326 g/mol  logS: -2.70946  SlogP: 2.3059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15742  Sterimol/B1: 3.39999  Sterimol/B2: 3.66393  Sterimol/B3: 4.32966
  Sterimol/B4: 4.97326  Sterimol/L: 14.6696 
 
 Surface and Volume Properties
  Accessible surface: 475.027  Positive charged surface: 313.716  Negative charged surface: 161.311  Volume: 256.25
  Hydrophobic surface: 360.816  Hydrophilic surface: 114.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.