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ASINEX-ZINC00820734

 MMsINC code: MMs00180901
Type: Neutral
Formula: C26H23NO2
SMILES:   Oc1ccc2c(cccc2)c1C(CC(=O)NCc1ccccc1)c1ccccc1
InChI:   InChI=1/C26H23NO2/c28-24-16-15-21-13-7-8-14-22(21)26(24)23(20-11-5-2-6-12-20)17-25(29)27-18-19-9-3-1-4-10-19/h1-16,23,28H,17-18H2,(H,27,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.475 g/mol  logS: -6.40069  SlogP: 5.6502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134728  Sterimol/B1: 3.00094  Sterimol/B2: 4.40849  Sterimol/B3: 5.01935
  Sterimol/B4: 7.89722  Sterimol/L: 18.1986 
 
 Surface and Volume Properties
  Accessible surface: 667.698  Positive charged surface: 381.791  Negative charged surface: 276.455  Volume: 381.625
  Hydrophobic surface: 606.219  Hydrophilic surface: 61.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.