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PUBCHEM-ZINC05855510

 MMsINC code: MMs03419380
Type: Neutral
Formula: C13H23NO3
SMILES:   O(C(=O)CNC(=O)C1(CCCC1)C(C)C)CC
InChI:   InChI=1/C13H23NO3/c1-4-17-11(15)9-14-12(16)13(10(2)3)7-5-6-8-13/h10H,4-9H2,1-3H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=49.0623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.331 g/mol  logS: -3.07  SlogP: 1.8821  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.115068  Sterimol/B1: 3.45015  Sterimol/B2: 3.92184  Sterimol/B3: 4.12518
  Sterimol/B4: 5.23274  Sterimol/L: 14.6266 
 
 Surface and Volume Properties
  Accessible surface: 490.31  Positive charged surface: 359.821  Negative charged surface: 130.49  Volume: 251.375
  Hydrophobic surface: 370.567  Hydrophilic surface: 119.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.