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PUBCHEM-ZINC06042531

 MMsINC code: MMs03509287
Type: Neutral
Formula: C24H28N2O2
SMILES:   O(C)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NC(CCCCC)C
InChI:   InChI=1/C24H28N2O2/c1-4-5-6-9-17(2)25-24(27)21-16-23(18-12-14-19(28-3)15-13-18)26-22-11-8-7-10-20(21)22/h7-8,10-17H,4-6,9H2,1-3H3,(H,25,27)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.5934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.5 g/mol  logS: -6.96696  SlogP: 5.609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122361  Sterimol/B1: 2.50113  Sterimol/B2: 5.67275  Sterimol/B3: 6.60651
  Sterimol/B4: 10.5175  Sterimol/L: 15.3001 
 
 Surface and Volume Properties
  Accessible surface: 712.038  Positive charged surface: 474.582  Negative charged surface: 225.401  Volume: 390.25
  Hydrophobic surface: 614.57  Hydrophilic surface: 97.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.