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CHEMDIV-ZINC02952488

 MMsINC code: MMs00897456
Type: Neutral
Formula: C26H26N4O5
SMILES:   O(CC)c1cc2c(NC(=O)N(Cc3ccc(cc3)C(=O)NCc3ncccc3)C2=O)cc1OCC
InChI:   InChI=1/C26H26N4O5/c1-3-34-22-13-20-21(14-23(22)35-4-2)29-26(33)30(25(20)32)16-17-8-10-18(11-9-17)24(31)28-15-19-7-5-6-12-27-19/h5-14H,3-4,15-16H2,1-2H3,(H,28,31)(H,29,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.9467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.517 g/mol  logS: -5.1638  SlogP: 4.5297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0901386  Sterimol/B1: 2.39077  Sterimol/B2: 2.54247  Sterimol/B3: 7.75385
  Sterimol/B4: 9.03499  Sterimol/L: 21.0408 
 
 Surface and Volume Properties
  Accessible surface: 806.515  Positive charged surface: 537.207  Negative charged surface: 269.308  Volume: 446.625
  Hydrophobic surface: 595.948  Hydrophilic surface: 210.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.