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PUBCHEM-ZINC05384355

 MMsINC code: MMs03254090
Type: Neutral
Formula: C12H23NO
SMILES:   O=C(N(C(C)C)C(C)C)C1CCCC1
InChI:   InChI=1/C12H23NO/c1-9(2)13(10(3)4)12(14)11-7-5-6-8-11/h9-11H,5-8H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.1379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.322 g/mol  logS: -2.30526  SlogP: 2.822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244077  Sterimol/B1: 2.29003  Sterimol/B2: 2.36432  Sterimol/B3: 5.37837
  Sterimol/B4: 6.1882  Sterimol/L: 11.0412 
 
 Surface and Volume Properties
  Accessible surface: 424.341  Positive charged surface: 308.666  Negative charged surface: 115.675  Volume: 225.375
  Hydrophobic surface: 340.585  Hydrophilic surface: 83.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.