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PUBCHEM-ZINC05133605

 MMsINC code: MMs03208525
Type: Neutral
Formula: C11H20N2O3
SMILES:   O=C(NCC(=O)NO)CCC1CCCCC1
InChI:   InChI=1/C11H20N2O3/c14-10(12-8-11(15)13-16)7-6-9-4-2-1-3-5-9/h9,16H,1-8H2,(H,12,14)(H,13,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -3.04347  SlogP: 0.9685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328877  Sterimol/B1: 2.67633  Sterimol/B2: 3.37191  Sterimol/B3: 3.39063
  Sterimol/B4: 4.26839  Sterimol/L: 17.0115 
 
 Surface and Volume Properties
  Accessible surface: 476.847  Positive charged surface: 352.355  Negative charged surface: 124.492  Volume: 226.125
  Hydrophobic surface: 292.666  Hydrophilic surface: 184.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.