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ASINEX-ZINC01824652

 MMsINC code: MMs00258726
Type: Neutral
Formula: C11H21N2O2+
SMILES:   O=C1N(CCC[N+](C)(C)C)C(=O)CCC1
InChI:   InChI=1/C11H21N2O2/c1-13(2,3)9-5-8-12-10(14)6-4-7-11(12)15/h4-9H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.4491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.301 g/mol  logS: -0.12816  SlogP: 0.6218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119194  Sterimol/B1: 2.3079  Sterimol/B2: 2.75599  Sterimol/B3: 4.46665
  Sterimol/B4: 5.14644  Sterimol/L: 13.0796 
 
 Surface and Volume Properties
  Accessible surface: 437.494  Positive charged surface: 360.325  Negative charged surface: 77.169  Volume: 222.75
  Hydrophobic surface: 314.948  Hydrophilic surface: 122.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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.