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NCID-ZINC01708350

 MMsINC code: MMs02336194
Type: Neutral
Formula: C11H21NO2
SMILES:   OC(=O)C(N)(CCCC)C1CCCC1
InChI:   InChI=1/C11H21NO2/c1-2-3-8-11(12,10(13)14)9-6-4-5-7-9/h9H,2-8,12H2,1H3,(H,13,14)/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.8441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -2.49631  SlogP: 2.1489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104177  Sterimol/B1: 3.07892  Sterimol/B2: 3.34934  Sterimol/B3: 3.38332
  Sterimol/B4: 5.44309  Sterimol/L: 13.1117 
 
 Surface and Volume Properties
  Accessible surface: 423.51  Positive charged surface: 318.102  Negative charged surface: 105.408  Volume: 211.625
  Hydrophobic surface: 298.03  Hydrophilic surface: 125.48
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.