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PUBCHEM-ZINC02047360

 MMsINC code: MMs02865356
Type: Neutral
Formula: C13H23NO3
SMILES:   O(C(C)(C)C)C(=O)NC(C=O)C1CCCCC1
InChI:   InChI=1/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=32.1424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.331 g/mol  logS: -3.02848  SlogP: 2.6589  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0710914  Sterimol/B1: 3.32432  Sterimol/B2: 3.44759  Sterimol/B3: 3.48432
  Sterimol/B4: 5.47331  Sterimol/L: 14.3718 
 
 Surface and Volume Properties
  Accessible surface: 491.905  Positive charged surface: 356.093  Negative charged surface: 135.812  Volume: 251
  Hydrophobic surface: 354.463  Hydrophilic surface: 137.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.