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IBS-ZINC00517336

 MMsINC code: MMs01743763
Type: Neutral
Formula: C11H18N2O2
SMILES:   O=C1N2C(CCC2)C(=O)NC1CC(C)C
InChI:   InChI=1/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=69.2216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -2.09033  SlogP: 0.5219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142555  Sterimol/B1: 2.74163  Sterimol/B2: 3.74581  Sterimol/B3: 4.13996
  Sterimol/B4: 4.68879  Sterimol/L: 12.4438 
 
 Surface and Volume Properties
  Accessible surface: 419.185  Positive charged surface: 295.672  Negative charged surface: 123.513  Volume: 211.25
  Hydrophobic surface: 280.127  Hydrophilic surface: 139.058
 
 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.