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ASINEX-ZINC04969147

 MMsINC code: MMs00418183
Type: Neutral
Formula: C13H26N2O2
SMILES:   O1CCCC1CNCC(=O)N(C(C)C)C(C)C
InChI:   InChI=1/C13H26N2O2/c1-10(2)15(11(3)4)13(16)9-14-8-12-6-5-7-17-12/h10-12,14H,5-9H2,1-4H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=92.8437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.363 g/mol  logS: -1.42792  SlogP: 1.4004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0832261  Sterimol/B1: 2.35006  Sterimol/B2: 2.55221  Sterimol/B3: 4.84949
  Sterimol/B4: 5.88851  Sterimol/L: 15.1181 
 
 Surface and Volume Properties
  Accessible surface: 504.003  Positive charged surface: 377.511  Negative charged surface: 126.492  Volume: 261.75
  Hydrophobic surface: 377.919  Hydrophilic surface: 126.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.