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PUBCHEM-ZINC02089965

 MMsINC code: MMs02871787
Type: Neutral
Formula: C24H26N2O2
SMILES:   O(CCC)c1cc(ccc1)-c1nc2c(cccc2)c(c1)C(=O)NC1CCCC1
InChI:   InChI=1/C24H26N2O2/c1-2-14-28-19-11-7-8-17(15-19)23-16-21(20-12-5-6-13-22(20)26-23)24(27)25-18-9-3-4-10-18/h5-8,11-13,15-16,18H,2-4,9-10,14H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.1716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -6.05001  SlogP: 5.363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217441  Sterimol/B1: 3.40464  Sterimol/B2: 3.60734  Sterimol/B3: 4.57435
  Sterimol/B4: 9.17748  Sterimol/L: 19.3657 
 
 Surface and Volume Properties
  Accessible surface: 700.933  Positive charged surface: 447.498  Negative charged surface: 241.228  Volume: 384.125
  Hydrophobic surface: 627.442  Hydrophilic surface: 73.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.