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PUBCHEM-ZINC02163938

 MMsINC code: MMs02878257
Type: Neutral
Formula: C11H20N2O3
SMILES:   O(C(=O)CC)CNC(=O)NC1CCCCC1
InChI:   InChI=1/C11H20N2O3/c1-2-10(14)16-8-12-11(15)13-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,12,13,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-29.9117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.39827  SlogP: 1.529  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0469457  Sterimol/B1: 2.7223  Sterimol/B2: 2.81529  Sterimol/B3: 3.20785
  Sterimol/B4: 5.24823  Sterimol/L: 15.801 
 
 Surface and Volume Properties
  Accessible surface: 483.999  Positive charged surface: 369.358  Negative charged surface: 114.641  Volume: 229.5
  Hydrophobic surface: 351.352  Hydrophilic surface: 132.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.