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NCID-ZINC01716866

 MMsINC code: MMs02342453
Type: Neutral
Formula: C11H23NO
SMILES:   O1CC(NC1(CCC)CCC)CC
InChI:   InChI=1/C11H23NO/c1-4-7-11(8-5-2)12-10(6-3)9-13-11/h10,12H,4-9H2,1-3H3/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.9501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.3223  SlogP: 2.6813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.280844  Sterimol/B1: 2.09635  Sterimol/B2: 3.08235  Sterimol/B3: 4.53841
  Sterimol/B4: 9.15002  Sterimol/L: 10.2476 
 
 Surface and Volume Properties
  Accessible surface: 435.839  Positive charged surface: 341.481  Negative charged surface: 94.3586  Volume: 217.375
  Hydrophobic surface: 355.152  Hydrophilic surface: 80.687
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.