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NCID-ZINC04804304

 MMsINC code: MMs02408581
Type: Neutral
Formula: C26H30N2O4
SMILES:   O(C)c1ccc(cc1)CN1CCCN(Cc2ccc(OC)cc2)C1c1ccc(O)cc1O
InChI:   InChI=1/C26H30N2O4/c1-31-22-9-4-19(5-10-22)17-27-14-3-15-28(18-20-6-11-23(32-2)12-7-20)26(27)24-13-8-21(29)16-25(24)30/h4-13,16,26,29-30H,3,14-15,17-18H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.536 g/mol  logS: -4.29822  SlogP: 5.15  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137497  Sterimol/B1: 2.51898  Sterimol/B2: 3.31698  Sterimol/B3: 5.64928
  Sterimol/B4: 9.6735  Sterimol/L: 19.5095 
 
 Surface and Volume Properties
  Accessible surface: 719.373  Positive charged surface: 517.752  Negative charged surface: 201.62  Volume: 426.625
  Hydrophobic surface: 604.493  Hydrophilic surface: 114.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.