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CHEMBLOCK-ZINC04744573

 MMsINC code: MMs00575906
Type: Neutral
Formula: C10H16N2O3
SMILES:   O=C1N(CC(=O)NC(C)(C)C)C(=O)CC1
InChI:   InChI=1/C10H16N2O3/c1-10(2,3)11-7(13)6-12-8(14)4-5-9(12)15/h4-6H2,1-3H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=15.0789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.249 g/mol  logS: -1.11131  SlogP: 0.0501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12895  Sterimol/B1: 2.18768  Sterimol/B2: 2.75851  Sterimol/B3: 4.46663
  Sterimol/B4: 5.23618  Sterimol/L: 12.6943 
 
 Surface and Volume Properties
  Accessible surface: 425.054  Positive charged surface: 279.786  Negative charged surface: 145.268  Volume: 205.125
  Hydrophobic surface: 261.018  Hydrophilic surface: 164.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.