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IBS-ZINC02274941

 MMsINC code: MMs01821460
Type: Neutral
Formula: C14H28N2O2
SMILES:   O=C(N(C)C)CCCCCCCCC(=O)N(C)C
InChI:   InChI=1/C14H28N2O2/c1-15(2)13(17)11-9-7-5-6-8-10-12-14(18)16(3)4/h5-12H2,1-4H3

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Potential Energy
Epot(MMFF94)=21.1759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.39 g/mol  logS: -1.95196  SlogP: 2.2836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140539  Sterimol/B1: 2.51232  Sterimol/B2: 2.51304  Sterimol/B3: 2.59243
  Sterimol/B4: 4.51159  Sterimol/L: 20.6167 
 
 Surface and Volume Properties
  Accessible surface: 591.957  Positive charged surface: 524.851  Negative charged surface: 67.1058  Volume: 291.625
  Hydrophobic surface: 527.091  Hydrophilic surface: 64.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.