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PUBCHEM-ZINC06252024

 MMsINC code: MMs03639414
Type: Neutral
Formula: C23H26N2O4
SMILES:   OCC(NC(=O)c1cc(ccc1)C(=O)c1ccccc1)C(=O)N1CCCCCC1
InChI:   InChI=1/C23H26N2O4/c26-16-20(23(29)25-13-6-1-2-7-14-25)24-22(28)19-12-8-11-18(15-19)21(27)17-9-4-3-5-10-17/h3-5,8-12,15,20,26H,1-2,6-7,13-14,16H2,(H,24,28)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.471 g/mol  logS: -4.42378  SlogP: 2.4109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888223  Sterimol/B1: 2.55094  Sterimol/B2: 4.29175  Sterimol/B3: 4.97297
  Sterimol/B4: 9.07765  Sterimol/L: 17.5686 
 
 Surface and Volume Properties
  Accessible surface: 665.876  Positive charged surface: 424.738  Negative charged surface: 241.138  Volume: 382.75
  Hydrophobic surface: 534.191  Hydrophilic surface: 131.685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.