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NCID-ZINC01649400

 MMsINC code: MMs02289407
Type: Neutral
Formula: C6H13NO2
SMILES:   O1CCN(C)C1COC
InChI:   InChI=1/C6H13NO2/c1-7-3-4-9-6(7)5-8-2/h6H,3-5H2,1-2H3/t6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.0326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 131.175 g/mol  logS: 0.19672  SlogP: -0.0791  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166734  Sterimol/B1: 1.99765  Sterimol/B2: 3.06114  Sterimol/B3: 3.27689
  Sterimol/B4: 5.79989  Sterimol/L: 9.65608 
 
 Surface and Volume Properties
  Accessible surface: 329.939  Positive charged surface: 308.957  Negative charged surface: 20.9822  Volume: 138.125
  Hydrophobic surface: 307.255  Hydrophilic surface: 22.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.