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PUBCHEM-ZINC00220440

 MMsINC code: MMs02641644
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC(CC)C)C1CCCCC1
InChI:   InChI=1/C15H26N2O2/c1-3-11(2)16-15(19)12-9-14(18)17(10-12)13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,19)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=11.8223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -1.94426  SlogP: 2.0823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0737564  Sterimol/B1: 2.54934  Sterimol/B2: 3.54501  Sterimol/B3: 4.70757
  Sterimol/B4: 4.98384  Sterimol/L: 15.8314 
 
 Surface and Volume Properties
  Accessible surface: 519.981  Positive charged surface: 393.881  Negative charged surface: 126.1  Volume: 281.125
  Hydrophobic surface: 426.825  Hydrophilic surface: 93.156
 
 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.