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PUBCHEM-ZINC05655208

 MMsINC code: MMs03338183
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N1CCCCCC1)C(CC)C
InChI:   InChI=1/C11H21NO/c1-3-10(2)11(13)12-8-6-4-5-7-9-12/h10H,3-9H2,1-2H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -1.53916  SlogP: 2.4351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142244  Sterimol/B1: 3.37043  Sterimol/B2: 3.65733  Sterimol/B3: 3.98269
  Sterimol/B4: 4.05403  Sterimol/L: 12.0614 
 
 Surface and Volume Properties
  Accessible surface: 397.28  Positive charged surface: 304.473  Negative charged surface: 92.8078  Volume: 205.875
  Hydrophobic surface: 337.109  Hydrophilic surface: 60.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.