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BACHEM-ZINC04899676

 MMsINC code: MMs00485187
Type: Neutral
Formula: C25H26N2O3
SMILES:   OC(=O)C(N)CCC(=O)NC(c1ccc(cc1)C)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H26N2O3/c1-18-12-14-21(15-13-18)25(19-8-4-2-5-9-19,20-10-6-3-7-11-20)27-23(28)17-16-22(26)24(29)30/h2-15,22H,16-17,26H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -5.31162  SlogP: 3.90672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293466  Sterimol/B1: 1.969  Sterimol/B2: 4.47371  Sterimol/B3: 6.47053
  Sterimol/B4: 10.4856  Sterimol/L: 15.6576 
 
 Surface and Volume Properties
  Accessible surface: 686.75  Positive charged surface: 420.299  Negative charged surface: 266.451  Volume: 398.5
  Hydrophobic surface: 531.284  Hydrophilic surface: 155.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.