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PUBCHEM-ZINC06439823

 MMsINC code: MMs03730424
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(CC)c1cc(ccc1)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1
InChI:   InChI=1/C25H26N2O3/c1-2-30-22-15-9-14-21(18-22)25(26-23(28)16-19-10-5-3-6-11-19)27-24(29)17-20-12-7-4-8-13-20/h3-15,18,25H,2,16-17H2,1H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.2706 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: 0.0557386  Sterimol/B1: 3.28053  Sterimol/B2: 3.93727  Sterimol/B3: 5.74804
  Sterimol/B4: 8.50123  Sterimol/L: 19.0029 
 
 Surface and Volume Properties
  Accessible surface: 746.88  Positive charged surface: 462.045  Negative charged surface: 284.836  Volume: 406.625
  Hydrophobic surface: 659.842  Hydrophilic surface: 87.038
 
 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.