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NCID-ZINC01765724

 MMsINC code: MMs02369586
Type: Neutral
Formula: C14H25NO2
SMILES:   OC1CCCCC1N(C(=O)C1CCCCC1)C
InChI:   InChI=1/C14H25NO2/c1-15(12-9-5-6-10-13(12)16)14(17)11-7-3-2-4-8-11/h11-13,16H,2-10H2,1H3/t12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=46.6707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.359 g/mol  logS: -2.26502  SlogP: 2.3286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106069  Sterimol/B1: 2.13519  Sterimol/B2: 2.98239  Sterimol/B3: 4.6973
  Sterimol/B4: 4.98456  Sterimol/L: 14.4413 
 
 Surface and Volume Properties
  Accessible surface: 469.77  Positive charged surface: 374.676  Negative charged surface: 95.0942  Volume: 254.375
  Hydrophobic surface: 405.173  Hydrophilic surface: 64.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.