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PUBCHEM-ZINC06864187

 MMsINC code: MMs03882382
Type: Neutral
Formula: C24H22N2O3
SMILES:   OCC(NC(=O)C1c2c(-c3c1cccc3)cccc2)C(=O)NCc1ccccc1
InChI:   InChI=1/C24H22N2O3/c27-15-21(23(28)25-14-16-8-2-1-3-9-16)26-24(29)22-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h1-13,21-22,27H,14-15H2,(H,25,28)(H,26,29)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -5.75375  SlogP: 2.8588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464962  Sterimol/B1: 2.70071  Sterimol/B2: 4.42213  Sterimol/B3: 5.27311
  Sterimol/B4: 6.34948  Sterimol/L: 19.0307 
 
 Surface and Volume Properties
  Accessible surface: 677.109  Positive charged surface: 395.351  Negative charged surface: 270.17  Volume: 377.625
  Hydrophobic surface: 573.606  Hydrophilic surface: 103.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.