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PUBCHEM-ZINC03103913

 MMsINC code: MMs02994234
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(NCC(CCCC)CC)CC
InChI:   InChI=1/C11H23NO/c1-4-7-8-10(5-2)9-12-11(13)6-3/h10H,4-9H2,1-3H3,(H,12,13)/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.76387  SlogP: 2.729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668234  Sterimol/B1: 2.60205  Sterimol/B2: 2.73802  Sterimol/B3: 3.48093
  Sterimol/B4: 5.10676  Sterimol/L: 15.8815 
 
 Surface and Volume Properties
  Accessible surface: 459.657  Positive charged surface: 343.458  Negative charged surface: 116.199  Volume: 216.5
  Hydrophobic surface: 352.449  Hydrophilic surface: 107.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.