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PUBCHEM-ZINC05821149

 MMsINC code: MMs03400176
Type: Neutral
Formula: C10H18N2O4
SMILES:   O(C(=O)CCC(=O)N(N=O)CCCC)CC
InChI:   InChI=1/C10H18N2O4/c1-3-5-8-12(11-15)9(13)6-7-10(14)16-4-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.5181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -1.73988  SlogP: 1.6398  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0369071  Sterimol/B1: 2.38588  Sterimol/B2: 2.44644  Sterimol/B3: 3.84616
  Sterimol/B4: 5.74404  Sterimol/L: 17.2721 
 
 Surface and Volume Properties
  Accessible surface: 486.557  Positive charged surface: 333.116  Negative charged surface: 153.441  Volume: 223.75
  Hydrophobic surface: 373.685  Hydrophilic surface: 112.872
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.