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ASINEX-ZINC01909293

 MMsINC code: MMs00259852
Type: Neutral
Formula: C24H28N2O3
SMILES:   O=C1N(CCCCCC(=O)Nc2ccc(cc2)CCCC)C(=O)c2c1cccc2
InChI:   InChI=1/C24H28N2O3/c1-2-3-9-18-13-15-19(16-14-18)25-22(27)12-5-4-8-17-26-23(28)20-10-6-7-11-21(20)24(26)29/h6-7,10-11,13-16H,2-5,8-9,12,17H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.1519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.499 g/mol  logS: -6.43797  SlogP: 4.82427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0249538  Sterimol/B1: 3.08095  Sterimol/B2: 3.21568  Sterimol/B3: 5.02649
  Sterimol/B4: 6.07737  Sterimol/L: 24.8019 
 
 Surface and Volume Properties
  Accessible surface: 749.946  Positive charged surface: 494.22  Negative charged surface: 255.726  Volume: 399.125
  Hydrophobic surface: 607.689  Hydrophilic surface: 142.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.