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PUBCHEM-ZINC03487627

 MMsINC code: MMs03015170
Type: Neutral
Formula: C19H26N4O4
SMILES:   O1CCN(CC1)c1ccc(NC(=O)CN2C(=O)C(NC2=O)CC(C)C)cc1
InChI:   InChI=1/C19H26N4O4/c1-13(2)11-16-18(25)23(19(26)21-16)12-17(24)20-14-3-5-15(6-4-14)22-7-9-27-10-8-22/h3-6,13,16H,7-12H2,1-2H3,(H,20,24)(H,21,26)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.441 g/mol  logS: -3.80923  SlogP: 1.4282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477179  Sterimol/B1: 2.01101  Sterimol/B2: 3.42411  Sterimol/B3: 4.54326
  Sterimol/B4: 8.03765  Sterimol/L: 19.2008 
 
 Surface and Volume Properties
  Accessible surface: 655.572  Positive charged surface: 465.569  Negative charged surface: 190.003  Volume: 357
  Hydrophobic surface: 446.32  Hydrophilic surface: 209.252
 
 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.