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NCID-ZINC01697321

 MMsINC code: MMs02327927
Type: Neutral
Formula: C11H16N2O2
SMILES:   O=C1N2C(CCC2)C(=O)NC12CCCC2
InChI:   InChI=1/C11H16N2O2/c14-9-8-4-3-7-13(8)10(15)11(12-9)5-1-2-6-11/h8H,1-7H2,(H,12,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=77.4493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.261 g/mol  logS: -1.48683  SlogP: 0.42  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13802  Sterimol/B1: 2.57725  Sterimol/B2: 4.22455  Sterimol/B3: 4.36477
  Sterimol/B4: 4.4383  Sterimol/L: 11.7557 
 
 Surface and Volume Properties
  Accessible surface: 397.959  Positive charged surface: 293.314  Negative charged surface: 104.645  Volume: 201.125
  Hydrophobic surface: 315.918  Hydrophilic surface: 82.041
 
 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.