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NCID-ZINC00640984

 MMsINC code: MMs02217674
Type: Neutral
Formula: C26H24N4O2
SMILES:   O=C(Nc1c2c(ccc1)c(NC(=O)NCc1ccccc1)ccc2)NCc1ccccc1
InChI:   InChI=1/C26H24N4O2/c31-25(27-17-19-9-3-1-4-10-19)29-23-15-7-14-22-21(23)13-8-16-24(22)30-26(32)28-18-20-11-5-2-6-12-20/h1-16H,17-18H2,(H2,27,29,31)(H2,28,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.5944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.504 g/mol  logS: -6.88518  SlogP: 6.016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205516  Sterimol/B1: 3.2637  Sterimol/B2: 3.77109  Sterimol/B3: 3.95359
  Sterimol/B4: 6.26522  Sterimol/L: 24.9655 
 
 Surface and Volume Properties
  Accessible surface: 768.571  Positive charged surface: 450.521  Negative charged surface: 306.119  Volume: 415.875
  Hydrophobic surface: 644.28  Hydrophilic surface: 124.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.