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CHEMBRIDGE-ZINC01127637

 MMsINC code: MMs00666210
Type: Neutral
Formula: C25H24N2O4
SMILES:   O(CC(=O)Nc1ccc(cc1)C(=O)C)c1ccccc1C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C25H24N2O4/c1-17(19-8-4-3-5-9-19)26-25(30)22-10-6-7-11-23(22)31-16-24(29)27-21-14-12-20(13-15-21)18(2)28/h3-15,17H,16H2,1-2H3,(H,26,30)(H,27,29)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -5.9852  SlogP: 4.4932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286556  Sterimol/B1: 1.99581  Sterimol/B2: 4.26388  Sterimol/B3: 5.23516
  Sterimol/B4: 8.9403  Sterimol/L: 20.7553 
 
 Surface and Volume Properties
  Accessible surface: 733.884  Positive charged surface: 421.635  Negative charged surface: 312.249  Volume: 405.375
  Hydrophobic surface: 601.429  Hydrophilic surface: 132.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.