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BACHEM-ZINC04899633

 MMsINC code: MMs00485130
Type: Neutral
Formula: C25H24N2O4
SMILES:   OC(=O)C(NC(=O)C)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H24N2O4/c1-18(28)26-22(24(30)31)17-23(29)27-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,26,28)(H,27,29)(H,30,31)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -5.1245  SlogP: 3.3856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.318464  Sterimol/B1: 3.84699  Sterimol/B2: 4.36066  Sterimol/B3: 6.72021
  Sterimol/B4: 7.57624  Sterimol/L: 14.7645 
 
 Surface and Volume Properties
  Accessible surface: 665.864  Positive charged surface: 385.793  Negative charged surface: 280.071  Volume: 398.5
  Hydrophobic surface: 526.401  Hydrophilic surface: 139.463
 
 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


MMs00485131
BACHEM-ZINC04899633