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NCID-ZINC05031893

 MMsINC code: MMs02431046
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N)C(\C(=C/CC)\CCC)CC
InChI:   InChI=1/C11H21NO/c1-4-7-9(8-5-2)10(6-3)11(12)13/h7,10H,4-6,8H2,1-3H3,(H2,12,13)/b9-7+/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.1742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -3.48415  SlogP: 2.6344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.347549  Sterimol/B1: 2.3957  Sterimol/B2: 3.06248  Sterimol/B3: 5.10724
  Sterimol/B4: 7.43629  Sterimol/L: 10.9082 
 
 Surface and Volume Properties
  Accessible surface: 421.025  Positive charged surface: 303.563  Negative charged surface: 117.461  Volume: 211
  Hydrophobic surface: 260.621  Hydrophilic surface: 160.404
 
 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.