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PUBCHEM-ZINC03147087

 MMsINC code: MMs03001235
Type: Neutral
Formula: C28H24N2O2
SMILES:   O=C(NCCNC(=O)c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C28H24N2O2/c31-27(25-15-11-23(12-16-25)21-7-3-1-4-8-21)29-19-20-30-28(32)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-18H,19-20H2,(H,29,31)(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.512 g/mol  logS: -8.32424  SlogP: 5.1804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00109975  Sterimol/B1: 2.3737  Sterimol/B2: 2.37652  Sterimol/B3: 3.76021
  Sterimol/B4: 5.17278  Sterimol/L: 27.1403 
 
 Surface and Volume Properties
  Accessible surface: 762.857  Positive charged surface: 376.988  Negative charged surface: 363.726  Volume: 423.125
  Hydrophobic surface: 677.034  Hydrophilic surface: 85.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.