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PUBCHEM-ZINC04762270

 MMsINC code: MMs03167670
Type: Neutral
Formula: C18H26N2O5
SMILES:   O(Cc1ccccc1)C(=O)NC(C(=O)NC(CCCC)C(OC)=O)C
InChI:   InChI=1/C18H26N2O5/c1-4-5-11-15(17(22)24-3)20-16(21)13(2)19-18(23)25-12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,19,23)(H,20,21)/t13-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.1887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.415 g/mol  logS: -4.0752  SlogP: 2.4157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399911  Sterimol/B1: 2.04931  Sterimol/B2: 2.67194  Sterimol/B3: 4.56324
  Sterimol/B4: 9.87636  Sterimol/L: 19.2464 
 
 Surface and Volume Properties
  Accessible surface: 685.162  Positive charged surface: 467.146  Negative charged surface: 218.017  Volume: 348.125
  Hydrophobic surface: 518.361  Hydrophilic surface: 166.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.