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PUBCHEM-ZINC06439614

 MMsINC code: MMs03730190
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(CC)c1ccc(cc1)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1
InChI:   InChI=1/C25H26N2O3/c1-2-30-22-15-13-21(14-16-22)25(26-23(28)17-19-9-5-3-6-10-19)27-24(29)18-20-11-7-4-8-12-20/h3-16,25H,2,17-18H2,1H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.7834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -5.62064  SlogP: 3.89714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0533948  Sterimol/B1: 3.19262  Sterimol/B2: 3.97179  Sterimol/B3: 6.5663
  Sterimol/B4: 8.31947  Sterimol/L: 18.4608 
 
 Surface and Volume Properties
  Accessible surface: 749.46  Positive charged surface: 462.049  Negative charged surface: 287.411  Volume: 405.875
  Hydrophobic surface: 661.163  Hydrophilic surface: 88.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.