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NCID-ZINC05371023

 MMsINC code: MMs02455848
Type: Neutral
Formula: C14H25NO2
SMILES:   O(CC)C(=O)NC1CC2CCCCC2(CC1)C
InChI:   InChI=1/C14H25NO2/c1-3-17-13(16)15-12-7-9-14(2)8-5-4-6-11(14)10-12/h11-12H,3-10H2,1-2H3,(H,15,16)/t11-,12+,14-/m1/s1

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Potential Energy
Epot(MMFF94)=28.9972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.359 g/mol  logS: -4.11234  SlogP: 3.4815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134967  Sterimol/B1: 2.85251  Sterimol/B2: 3.53114  Sterimol/B3: 4.37977
  Sterimol/B4: 5.6216  Sterimol/L: 14.3116 
 
 Surface and Volume Properties
  Accessible surface: 473.768  Positive charged surface: 364.577  Negative charged surface: 109.191  Volume: 253.625
  Hydrophobic surface: 387.076  Hydrophilic surface: 86.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.