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PUBCHEM-ZINC06656170

 MMsINC code: MMs03835884
Type: Neutral
Formula: C24H34N2O5
SMILES:   O(CC(O)CN(Cc1ccccc1)CC(OCC)OCC)c1ccccc1NC(=O)C
InChI:   InChI=1/C24H34N2O5/c1-4-29-24(30-5-2)17-26(15-20-11-7-6-8-12-20)16-21(28)18-31-23-14-10-9-13-22(23)25-19(3)27/h6-14,21,24,28H,4-5,15-18H2,1-3H3,(H,25,27)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=165.598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.545 g/mol  logS: -3.92839  SlogP: 3.5524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111373  Sterimol/B1: 3.46301  Sterimol/B2: 5.79526  Sterimol/B3: 6.18635
  Sterimol/B4: 8.18833  Sterimol/L: 18.1041 
 
 Surface and Volume Properties
  Accessible surface: 766.566  Positive charged surface: 523.344  Negative charged surface: 243.222  Volume: 433.75
  Hydrophobic surface: 632.751  Hydrophilic surface: 133.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs03835885
PUBCHEM-ZINC06656170