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ASINEX-ZINC02470266

 MMsINC code: MMs00272083
Type: Neutral
Formula: C14H28N2O2
SMILES:   O1CCN(CC1)CC(=O)NC(CCCCC)(C)C
InChI:   InChI=1/C14H28N2O2/c1-4-5-6-7-14(2,3)15-13(17)12-16-8-10-18-11-9-16/h4-12H2,1-3H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=78.5734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.39 g/mol  logS: -2.68154  SlogP: 1.7937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455497  Sterimol/B1: 2.93244  Sterimol/B2: 3.30232  Sterimol/B3: 3.98944
  Sterimol/B4: 4.26157  Sterimol/L: 18.2331 
 
 Surface and Volume Properties
  Accessible surface: 536.747  Positive charged surface: 444.017  Negative charged surface: 92.7307  Volume: 278.875
  Hydrophobic surface: 439.548  Hydrophilic surface: 97.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00272084
ASINEX-ZINC02470266