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NCID-ZINC01689425

 MMsINC code: MMs02321929
Type: Neutral
Formula: C10H20N2O4
SMILES:   OC(=O)CNCCCCCCNCC(O)=O
InChI:   InChI=1/C10H20N2O4/c13-9(14)7-11-5-3-1-2-4-6-12-8-10(15)16/h11-12H,1-8H2,(H,13,14)(H,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: 0.07682  SlogP: -0.1048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0172788  Sterimol/B1: 2.37499  Sterimol/B2: 2.37587  Sterimol/B3: 2.86693
  Sterimol/B4: 3.77368  Sterimol/L: 20.0881 
 
 Surface and Volume Properties
  Accessible surface: 512.145  Positive charged surface: 386.712  Negative charged surface: 125.433  Volume: 231.625
  Hydrophobic surface: 274.331  Hydrophilic surface: 237.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.