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ASINEX-ZINC04011298

 MMsINC code: MMs00296100
Type: Neutral
Formula: C11H23NO2
SMILES:   O(C)C1CCCCC1NC(COC)C
InChI:   InChI=1/C11H23NO2/c1-9(8-13-2)12-10-6-4-5-7-11(10)14-3/h9-12H,4-8H2,1-3H3/t9-,10+,11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.9336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.31 g/mol  logS: -0.92589  SlogP: 1.5685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20622  Sterimol/B1: 2.30443  Sterimol/B2: 2.72654  Sterimol/B3: 5.21127
  Sterimol/B4: 5.92012  Sterimol/L: 12.0458 
 
 Surface and Volume Properties
  Accessible surface: 450.568  Positive charged surface: 392.955  Negative charged surface: 57.6132  Volume: 225
  Hydrophobic surface: 420.483  Hydrophilic surface: 30.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00296101
ASINEX-ZINC04011298