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CHEMBRIDGE-ZINC02115023

 MMsINC code: MMs00702579
Type: Neutral
Formula: C11H22N2O2
SMILES:   O=C(NC(CNC(=O)C(C)C)C)C(C)C
InChI:   InChI=1/C11H22N2O2/c1-7(2)10(14)12-6-9(5)13-11(15)8(3)4/h7-9H,6H2,1-5H3,(H,12,14)(H,13,15)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=15.0419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.08469  SlogP: 0.9193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.091115  Sterimol/B1: 2.38367  Sterimol/B2: 3.3317  Sterimol/B3: 3.62434
  Sterimol/B4: 7.32135  Sterimol/L: 13.349 
 
 Surface and Volume Properties
  Accessible surface: 473.698  Positive charged surface: 334.03  Negative charged surface: 139.668  Volume: 233.75
  Hydrophobic surface: 315.742  Hydrophilic surface: 157.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.