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PUBCHEM-ZINC05096827

MMsINC code: MMs03199728

Type: Neutral
Formula: C23H34N4O4
SMILES:   O(CCCN(CC(=O)N(Cc1n(ccc1)C)CCOC)C(=O)Nc1ccccc1C)C
InChI:   InChI=1/C23H34N4O4/c1-19-9-5-6-11-21(19)24-23(29)27(13-8-15-30-3)18-22(28)26(14-16-31-4)17-20-10-7-12-25(20)2/h5-7,9-12H,8,13-18H2,1-4H3,(H,24,29)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=79.0466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.549 g/mol  logS: -2.29435  SlogP: 3.50472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21237  Sterimol/B1: 3.08328  Sterimol/B2: 5.92286  Sterimol/B3: 6.88688
  Sterimol/B4: 7.88405  Sterimol/L: 15.9347 
 
 Surface and Volume Properties
  Accessible surface: 772.325  Positive charged surface: 583.938  Negative charged surface: 188.387  Volume: 439.875
  Hydrophobic surface: 699.799  Hydrophilic surface: 72.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.