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PUBCHEM-ZINC05295156

 MMsINC code: MMs03234384
Type: Neutral
Formula: C22H28N2O3
SMILES:   O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCC
InChI:   InChI=1/C22H28N2O3/c1-2-3-10-15-23-21(25)20(16-18-11-6-4-7-12-18)24-22(26)27-17-19-13-8-5-9-14-19/h4-9,11-14,20H,2-3,10,15-17H2,1H3,(H,23,25)(H,24,26)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.4772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.477 g/mol  logS: -5.16919  SlogP: 4.09687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0335026  Sterimol/B1: 3.35751  Sterimol/B2: 3.52095  Sterimol/B3: 4.26346
  Sterimol/B4: 7.82653  Sterimol/L: 21.3026 
 
 Surface and Volume Properties
  Accessible surface: 693.278  Positive charged surface: 458.853  Negative charged surface: 234.425  Volume: 378.625
  Hydrophobic surface: 587.518  Hydrophilic surface: 105.76
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.