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CHEMDIV-ZINC04800106

 MMsINC code: MMs00957846
Type: Neutral
Formula: C23H26N2O5
SMILES:   O1CCN(CC1)C(=O)C1CC(=O)N(C1c1ccc(OC)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C23H26N2O5/c1-28-18-7-3-16(4-8-18)22-20(23(27)24-11-13-30-14-12-24)15-21(26)25(22)17-5-9-19(29-2)10-6-17/h3-10,20,22H,11-15H2,1-2H3/t20-,22+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.47 g/mol  logS: -3.49494  SlogP: 2.7523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143358  Sterimol/B1: 2.44477  Sterimol/B2: 4.44633  Sterimol/B3: 4.61785
  Sterimol/B4: 11.0204  Sterimol/L: 16.6957 
 
 Surface and Volume Properties
  Accessible surface: 674.901  Positive charged surface: 494.767  Negative charged surface: 180.134  Volume: 387.875
  Hydrophobic surface: 586.762  Hydrophilic surface: 88.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.