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NCID-ZINC01671420

 MMsINC code: MMs02307417
Type: Neutral
Formula: C15H23NO2
SMILES:   O(C(=O)c1ccc(N)cc1)C(CCCCCC)C
InChI:   InChI=1/C15H23NO2/c1-3-4-5-6-7-12(2)18-15(17)13-8-10-14(16)11-9-13/h8-12H,3-7,16H2,1-2H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=40.1295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.354 g/mol  logS: -4.40456  SlogP: 3.7845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668472  Sterimol/B1: 2.2894  Sterimol/B2: 3.17542  Sterimol/B3: 3.90985
  Sterimol/B4: 8.59668  Sterimol/L: 15.9972 
 
 Surface and Volume Properties
  Accessible surface: 548.377  Positive charged surface: 390.153  Negative charged surface: 158.225  Volume: 271.125
  Hydrophobic surface: 415.805  Hydrophilic surface: 132.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.