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CHEMDIV-ZINC04037667

 MMsINC code: MMs00923978
Type: Neutral
Formula: C26H35NO2
SMILES:   O(CC(=O)NC1CCCCCCCCCCC1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C26H35NO2/c28-26(27-24-15-11-6-4-2-1-3-5-7-12-16-24)21-29-25-19-17-23(18-20-25)22-13-9-8-10-14-22/h8-10,13-14,17-20,24H,1-7,11-12,15-16,21H2,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=183.775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.571 g/mol  logS: -8.59667  SlogP: 6.5219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950591  Sterimol/B1: 3.90151  Sterimol/B2: 5.04447  Sterimol/B3: 5.0463
  Sterimol/B4: 6.43274  Sterimol/L: 18.1137 
 
 Surface and Volume Properties
  Accessible surface: 699.471  Positive charged surface: 434.946  Negative charged surface: 253.578  Volume: 420.125
  Hydrophobic surface: 662.409  Hydrophilic surface: 37.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.