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NCID-ZINC01713434

 MMsINC code: MMs02339928
Type: Neutral
Formula: C17H26N2O2
SMILES:   O=C(NC(=O)CN(CCCC)CCCC)c1ccccc1
InChI:   InChI=1/C17H26N2O2/c1-3-5-12-19(13-6-4-2)14-16(20)18-17(21)15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3,(H,18,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.407 g/mol  logS: -3.90461  SlogP: 2.8452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.056415  Sterimol/B1: 2.49721  Sterimol/B2: 3.15658  Sterimol/B3: 3.63071
  Sterimol/B4: 10.4124  Sterimol/L: 16.6078 
 
 Surface and Volume Properties
  Accessible surface: 610.183  Positive charged surface: 417.273  Negative charged surface: 192.91  Volume: 312.375
  Hydrophobic surface: 497.226  Hydrophilic surface: 112.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02339929
NCID-ZINC01713434