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CHEMBRIDGE-ZINC00668468

 MMsINC code: MMs00638754
Type: Neutral
Formula: C24H26N2O3
SMILES:   O(C)c1cc(ccc1OC)-c1nc2c(cccc2)c(c1)C(=O)NC1CCCCC1
InChI:   InChI=1/C24H26N2O3/c1-28-22-13-12-16(14-23(22)29-2)21-15-19(18-10-6-7-11-20(18)26-21)24(27)25-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -6.08663  SlogP: 4.9815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0269127  Sterimol/B1: 2.18018  Sterimol/B2: 3.23194  Sterimol/B3: 3.49906
  Sterimol/B4: 12.5936  Sterimol/L: 18.0252 
 
 Surface and Volume Properties
  Accessible surface: 700.592  Positive charged surface: 494.869  Negative charged surface: 194.35  Volume: 387.625
  Hydrophobic surface: 636.834  Hydrophilic surface: 63.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.