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ASINEX-ZINC01236604

 MMsINC code: MMs00233722
Type: Neutral
Formula: C10H18N2O3
SMILES:   O=C1NCCN(CC(C)C)C1CC(O)=O
InChI:   InChI=1/C10H18N2O3/c1-7(2)6-12-4-3-11-10(15)8(12)5-9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=62.5132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -0.41835  SlogP: -0.0825  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225183  Sterimol/B1: 3.28608  Sterimol/B2: 3.80618  Sterimol/B3: 4.11002
  Sterimol/B4: 5.73454  Sterimol/L: 11.058 
 
 Surface and Volume Properties
  Accessible surface: 411.919  Positive charged surface: 297.982  Negative charged surface: 113.937  Volume: 206.5
  Hydrophobic surface: 231.654  Hydrophilic surface: 180.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.