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PUBCHEM-ZINC02106017

 MMsINC code: MMs02872907
Type: Neutral
Formula: C26H24N2O2
SMILES:   O(CC)c1ccc(cc1)C(NC(=O)c1cc(nc2c1cccc2)-c1ccccc1)C
InChI:   InChI=1/C26H24N2O2/c1-3-30-21-15-13-19(14-16-21)18(2)27-26(29)23-17-25(20-9-5-4-6-10-20)28-24-12-8-7-11-22(23)24/h4-18H,3H2,1-2H3,(H,27,29)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -6.98743  SlogP: 5.887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0330803  Sterimol/B1: 2.57112  Sterimol/B2: 4.53716  Sterimol/B3: 6.19803
  Sterimol/B4: 7.39911  Sterimol/L: 18.7412 
 
 Surface and Volume Properties
  Accessible surface: 707.969  Positive charged surface: 405.321  Negative charged surface: 291.914  Volume: 399
  Hydrophobic surface: 614.396  Hydrophilic surface: 93.573
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.