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ENAMINE-ZINC03490210

 MMsINC code: MMs01470855
Type: Neutral
Formula: C24H22N2O4
SMILES:   O(C(=O)CC(NC(=O)c1ccccc1)c1ccccc1)CC(=O)Nc1ccccc1
InChI:   InChI=1/C24H22N2O4/c27-22(25-20-14-8-3-9-15-20)17-30-23(28)16-21(18-10-4-1-5-11-18)26-24(29)19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,25,27)(H,26,29)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.6778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.45 g/mol  logS: -5.58543  SlogP: 3.8252  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0627416  Sterimol/B1: 2.30418  Sterimol/B2: 3.35805  Sterimol/B3: 4.16896
  Sterimol/B4: 11.259  Sterimol/L: 18.5775 
 
 Surface and Volume Properties
  Accessible surface: 726.933  Positive charged surface: 410.504  Negative charged surface: 316.429  Volume: 387.75
  Hydrophobic surface: 622.325  Hydrophilic surface: 104.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.