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CHEMDIV-ZINC04005048

 MMsINC code: MMs00922602
Type: Neutral
Formula: C26H32N4O5
SMILES:   O(C)c1cc2c(NC(=O)N(CCCCCC(=O)N3CCN(CC3)c3ccccc3)C2=O)cc1OC
InChI:   InChI=1/C26H32N4O5/c1-34-22-17-20-21(18-23(22)35-2)27-26(33)30(25(20)32)12-8-4-7-11-24(31)29-15-13-28(14-16-29)19-9-5-3-6-10-19/h3,5-6,9-10,17-18H,4,7-8,11-16H2,1-2H3,(H,27,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.565 g/mol  logS: -4.35707  SlogP: 3.6007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315766  Sterimol/B1: 2.15741  Sterimol/B2: 3.86984  Sterimol/B3: 4.13977
  Sterimol/B4: 7.5967  Sterimol/L: 25.7904 
 
 Surface and Volume Properties
  Accessible surface: 814.46  Positive charged surface: 610.239  Negative charged surface: 204.221  Volume: 460.25
  Hydrophobic surface: 664.745  Hydrophilic surface: 149.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.