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NCID-ZINC04777443

 MMsINC code: MMs02404674
Type: Neutral
Formula: C15H25NO4
SMILES:   OC1C(CC(CC1C)C)C(O)CC1CC(=O)NC(=O)C1
InChI:   InChI=1/C15H25NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,15,17,20H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+,15-/m0/s1

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Potential Energy
Epot(MMFF94)=49.1667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.368 g/mol  logS: -1.99881  SlogP: 0.8333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879612  Sterimol/B1: 2.17385  Sterimol/B2: 2.28948  Sterimol/B3: 4.59832
  Sterimol/B4: 6.37712  Sterimol/L: 14.7402 
 
 Surface and Volume Properties
  Accessible surface: 498.98  Positive charged surface: 348.261  Negative charged surface: 150.719  Volume: 276.125
  Hydrophobic surface: 282.846  Hydrophilic surface: 216.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.