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PUBCHEM-ZINC01851572

 MMsINC code: MMs02825876
Type: Neutral
Formula: C11H18N2O2
SMILES:   o1cccc1C(=O)NCCN(CC)CC
InChI:   InChI=1/C11H18N2O2/c1-3-13(4-2)8-7-12-11(14)10-6-5-9-15-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=27.8519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -1.83489  SlogP: 1.3512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0478307  Sterimol/B1: 2.27833  Sterimol/B2: 2.49409  Sterimol/B3: 3.97113
  Sterimol/B4: 6.38964  Sterimol/L: 14.8656 
 
 Surface and Volume Properties
  Accessible surface: 468.591  Positive charged surface: 315.736  Negative charged surface: 152.855  Volume: 220.75
  Hydrophobic surface: 362.903  Hydrophilic surface: 105.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02825877
PUBCHEM-ZINC01851572