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IBS-ZINC06658944

 MMsINC code: MMs01959742
Type: Neutral
Formula: C22H23N3O5
SMILES:   O=C1N(CCCCCC(=O)Nc2ccccc2C(OC)=O)C(=O)Nc2c1cccc2
InChI:   InChI=1/C22H23N3O5/c1-30-21(28)16-10-5-7-12-18(16)23-19(26)13-3-2-8-14-25-20(27)15-9-4-6-11-17(15)24-22(25)29/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,23,26)(H,24,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.0465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.442 g/mol  logS: -4.6973  SlogP: 3.66  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443038  Sterimol/B1: 2.00717  Sterimol/B2: 4.03713  Sterimol/B3: 4.77852
  Sterimol/B4: 8.69837  Sterimol/L: 21.6437 
 
 Surface and Volume Properties
  Accessible surface: 699.893  Positive charged surface: 466.095  Negative charged surface: 233.798  Volume: 381.5
  Hydrophobic surface: 544.953  Hydrophilic surface: 154.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.