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PUBCHEM-ZINC05897203

 MMsINC code: MMs03434153
Type: Neutral
Formula: C20H36N2O2
SMILES:   O=C(NCCNC(=O)CCC1CCCCC1)CCC1CCCCC1
InChI:   InChI=1/C20H36N2O2/c23-19(13-11-17-7-3-1-4-8-17)21-15-16-22-20(24)14-12-18-9-5-2-6-10-18/h17-18H,1-16H2,(H,21,23)(H,22,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.6283 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.52 g/mol  logS: -6.3325  SlogP: 3.9398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0194826  Sterimol/B1: 2.54158  Sterimol/B2: 3.20309  Sterimol/B3: 3.72425
  Sterimol/B4: 3.8832  Sterimol/L: 23.7885 
 
 Surface and Volume Properties
  Accessible surface: 688.411  Positive charged surface: 560.165  Negative charged surface: 128.246  Volume: 365.375
  Hydrophobic surface: 592.716  Hydrophilic surface: 95.695
 
 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.