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PUBCHEM-ZINC05309608

 MMsINC code: MMs03236704
Type: Neutral
Formula: C10H21NO2
SMILES:   OCCNC(=O)C(CCCC)CC
InChI:   InChI=1/C10H21NO2/c1-3-5-6-9(4-2)10(13)11-7-8-12/h9,12H,3-8H2,1-2H3,(H,11,13)/t9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.5254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -2.03235  SlogP: 1.3113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0858732  Sterimol/B1: 2.49995  Sterimol/B2: 2.59032  Sterimol/B3: 3.92142
  Sterimol/B4: 5.46235  Sterimol/L: 14.5512 
 
 Surface and Volume Properties
  Accessible surface: 447.768  Positive charged surface: 348.825  Negative charged surface: 98.943  Volume: 206.625
  Hydrophobic surface: 320.484  Hydrophilic surface: 127.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.