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ASINEX-ZINC01350427

 MMsINC code: MMs00242746
Type: Neutral
Formula: C24H25N3O2
SMILES:   O=C(Nc1cc(NC(=O)c2nccc3c2cccc3)ccc1C)C1CCCCC1
InChI:   InChI=1/C24H25N3O2/c1-16-11-12-19(15-21(16)27-23(28)18-8-3-2-4-9-18)26-24(29)22-20-10-6-5-7-17(20)13-14-25-22/h5-7,10-15,18H,2-4,8-9H2,1H3,(H,26,29)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.483 g/mol  logS: -6.34461  SlogP: 5.31432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0447378  Sterimol/B1: 2.35241  Sterimol/B2: 3.62048  Sterimol/B3: 3.6584
  Sterimol/B4: 9.13826  Sterimol/L: 19.3413 
 
 Surface and Volume Properties
  Accessible surface: 678.951  Positive charged surface: 449.544  Negative charged surface: 218.37  Volume: 383.25
  Hydrophobic surface: 608.225  Hydrophilic surface: 70.726
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.