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NCID-ZINC01765725

 MMsINC code: MMs02369587
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+/m1/s1

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Potential Energy
Epot(MMFF94)=47.2152 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: 0.0958715  Sterimol/B1: 2.14139  Sterimol/B2: 2.98313  Sterimol/B3: 4.68569
  Sterimol/B4: 4.92037  Sterimol/L: 14.4253 
 
 Surface and Volume Properties
  Accessible surface: 464.043  Positive charged surface: 376.327  Negative charged surface: 87.7158  Volume: 252.125
  Hydrophobic surface: 410.875  Hydrophilic surface: 53.168
 
 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.