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PUBCHEM-ZINC04817608

 MMsINC code: MMs03174499
Type: Neutral
Formula: C23H30N2O4
SMILES:   O(CC)c1cc(NC(=O)CCCC)c(OCC)cc1NC(=O)c1cc(ccc1)C
InChI:   InChI=1/C23H30N2O4/c1-5-8-12-22(26)24-18-14-21(29-7-3)19(15-20(18)28-6-2)25-23(27)17-11-9-10-16(4)13-17/h9-11,13-15H,5-8,12H2,1-4H3,(H,24,26)(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.503 g/mol  logS: -6.02563  SlogP: 5.17342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444719  Sterimol/B1: 2.50051  Sterimol/B2: 4.71169  Sterimol/B3: 6.14224
  Sterimol/B4: 8.32448  Sterimol/L: 21.1444 
 
 Surface and Volume Properties
  Accessible surface: 769.211  Positive charged surface: 542.88  Negative charged surface: 226.331  Volume: 405
  Hydrophobic surface: 623.732  Hydrophilic surface: 145.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.