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PUBCHEM-ZINC06096537

 MMsINC code: MMs03542641
Type: Neutral
Formula: C25H26N2O3
SMILES:   OCC(NC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C25H26N2O3/c28-18-22(16-19-10-4-1-5-11-19)26-25(30)23(17-20-12-6-2-7-13-20)27-24(29)21-14-8-3-9-15-21/h1-15,22-23,28H,16-18H2,(H,26,30)(H,27,29)/t22-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -5.15978  SlogP: 2.74744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219859  Sterimol/B1: 2.55713  Sterimol/B2: 5.13846  Sterimol/B3: 6.74151
  Sterimol/B4: 9.02392  Sterimol/L: 15.4857 
 
 Surface and Volume Properties
  Accessible surface: 693.288  Positive charged surface: 415.897  Negative charged surface: 277.391  Volume: 403.5
  Hydrophobic surface: 603.848  Hydrophilic surface: 89.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.