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MAYBRIDGE-ZINC04344157

 MMsINC code: MMs02169645
Type: Neutral
Formula: C9H18N2O3
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NC)C
InChI:   InChI=1/C9H18N2O3/c1-6(7(12)10-5)11-8(13)14-9(2,3)4/h6H,1-5H3,(H,10,12)(H,11,13)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=21.8973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.254 g/mol  logS: -1.32134  SlogP: 0.6456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.075518  Sterimol/B1: 2.08097  Sterimol/B2: 3.10592  Sterimol/B3: 3.75031
  Sterimol/B4: 5.28302  Sterimol/L: 14.2779 
 
 Surface and Volume Properties
  Accessible surface: 440.105  Positive charged surface: 326.519  Negative charged surface: 113.586  Volume: 204.875
  Hydrophobic surface: 278.52  Hydrophilic surface: 161.585
 
 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.