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CHEMBRIDGE-ZINC02115025

 MMsINC code: MMs00702580
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-/m0/s1

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Potential Energy
Epot(MMFF94)=15.012 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: 0.0948932  Sterimol/B1: 2.05295  Sterimol/B2: 3.23043  Sterimol/B3: 4.52089
  Sterimol/B4: 6.68143  Sterimol/L: 13.319 
 
 Surface and Volume Properties
  Accessible surface: 476.642  Positive charged surface: 336.966  Negative charged surface: 139.677  Volume: 230.875
  Hydrophobic surface: 319.168  Hydrophilic surface: 157.474
 
 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.