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ENAMINE-ZINC04600972

 MMsINC code: MMs01550254
Type: Neutral
Formula: C24H20N2O4
SMILES:   O1c2cc(ccc2OC1)CN1C(=O)C(NC1=O)(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C24H20N2O4/c27-22-24(19-9-5-2-6-10-19,14-17-7-3-1-4-8-17)25-23(28)26(22)15-18-11-12-20-21(13-18)30-16-29-20/h1-13H,14-16H2,(H,25,28)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.7905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.434 g/mol  logS: -5.35476  SlogP: 4.18317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169398  Sterimol/B1: 2.49122  Sterimol/B2: 4.1387  Sterimol/B3: 4.53804
  Sterimol/B4: 7.12781  Sterimol/L: 16.3677 
 
 Surface and Volume Properties
  Accessible surface: 582.765  Positive charged surface: 343.279  Negative charged surface: 239.486  Volume: 372.25
  Hydrophobic surface: 463.278  Hydrophilic surface: 119.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.