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PUBCHEM-ZINC05309951

 MMsINC code: MMs03236834
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-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.6329 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: 0.0825492  Sterimol/B1: 2.34995  Sterimol/B2: 2.76738  Sterimol/B3: 3.53238
  Sterimol/B4: 7.80487  Sterimol/L: 13.2683 
 
 Surface and Volume Properties
  Accessible surface: 453.198  Positive charged surface: 357.349  Negative charged surface: 95.849  Volume: 208.375
  Hydrophobic surface: 328.073  Hydrophilic surface: 125.125
 
 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.