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PUBCHEM-ZINC05632410

 MMsINC code: MMs03329993
Type: Neutral
Formula: C16H22N2O4
SMILES:   OC(=O)CCCC(=O)Nc1cc(ccc1)C(=O)NC(C)(C)C
InChI:   InChI=1/C16H22N2O4/c1-16(2,3)18-15(22)11-6-4-7-12(10-11)17-13(19)8-5-9-14(20)21/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,19)(H,18,22)(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.8011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.362 g/mol  logS: -2.67618  SlogP: 2.4083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0342959  Sterimol/B1: 2.21057  Sterimol/B2: 2.92719  Sterimol/B3: 4.92023
  Sterimol/B4: 7.64605  Sterimol/L: 17.8127 
 
 Surface and Volume Properties
  Accessible surface: 585.94  Positive charged surface: 382.184  Negative charged surface: 203.756  Volume: 302.375
  Hydrophobic surface: 367.854  Hydrophilic surface: 218.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03329994
PUBCHEM-ZINC05632410