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PUBCHEM-ZINC06593278

 MMsINC code: MMs03811819
Type: Neutral
Formula: C10H20N2O3
SMILES:   O(C(=O)CCCNC(=O)NCCC)CC
InChI:   InChI=1/C10H20N2O3/c1-3-7-11-10(14)12-8-5-6-9(13)15-4-2/h3-8H2,1-2H3,(H2,11,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-23.0332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -0.95238  SlogP: 1.0389  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0147303  Sterimol/B1: 2.37509  Sterimol/B2: 2.37593  Sterimol/B3: 3.12919
  Sterimol/B4: 3.48454  Sterimol/L: 19.2841 
 
 Surface and Volume Properties
  Accessible surface: 505.032  Positive charged surface: 390.069  Negative charged surface: 114.963  Volume: 223.125
  Hydrophobic surface: 346.379  Hydrophilic surface: 158.653
 
 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.