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PUBCHEM-ZINC04529956

 MMsINC code: MMs03129307
Type: Neutral
Formula: C12H18N2O2
SMILES:   o1cccc1C(=O)NC(N1CCCCC1)C
InChI:   InChI=1/C12H18N2O2/c1-10(14-7-3-2-4-8-14)13-12(15)11-6-5-9-16-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,13,15)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=2.66093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.288 g/mol  logS: -2.14256  SlogP: 1.8413  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0964134  Sterimol/B1: 2.19722  Sterimol/B2: 3.23099  Sterimol/B3: 3.83598
  Sterimol/B4: 7.21556  Sterimol/L: 13.8746 
 
 Surface and Volume Properties
  Accessible surface: 456.295  Positive charged surface: 306.646  Negative charged surface: 149.648  Volume: 224.125
  Hydrophobic surface: 388.373  Hydrophilic surface: 67.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.