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PUBCHEM-ZINC06202246

 MMsINC code: MMs03609813
Type: Neutral
Formula: C14H26N2O2
SMILES:   O1CCCC1CNCC(=O)N1C(CCCC1C)C
InChI:   InChI=1/C14H26N2O2/c1-11-5-3-6-12(2)16(11)14(17)10-15-9-13-7-4-8-18-13/h11-13,15H,3-10H2,1-2H3/t11-,12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=82.8004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -1.52765  SlogP: 1.5445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0674547  Sterimol/B1: 2.23829  Sterimol/B2: 2.5505  Sterimol/B3: 4.91705
  Sterimol/B4: 6.3994  Sterimol/L: 15.5945 
 
 Surface and Volume Properties
  Accessible surface: 518.195  Positive charged surface: 415.891  Negative charged surface: 102.304  Volume: 270.375
  Hydrophobic surface: 434.691  Hydrophilic surface: 83.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.