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NCID-ZINC05082356

 MMsINC code: MMs02438025
Type: Neutral
Formula: C14H23NO4
SMILES:   OC1CCC(CC1C(O)CC1CC(=O)NC(=O)C1)C
InChI:   InChI=1/C14H23NO4/c1-8-2-3-11(16)10(4-8)12(17)5-9-6-13(18)15-14(19)7-9/h8-12,16-17H,2-7H2,1H3,(H,15,18,19)/t8-,10-,11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=28.8472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.341 g/mol  logS: -1.79704  SlogP: 0.5873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.062948  Sterimol/B1: 2.31441  Sterimol/B2: 3.01392  Sterimol/B3: 3.47706
  Sterimol/B4: 7.24856  Sterimol/L: 14.1402 
 
 Surface and Volume Properties
  Accessible surface: 488.202  Positive charged surface: 338.245  Negative charged surface: 149.958  Volume: 258.125
  Hydrophobic surface: 268.249  Hydrophilic surface: 219.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.