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NCID-ZINC01700487

 MMsINC code: MMs02330235
Type: Neutral
Formula: C16H28N2O2
SMILES:   O=C(N1CCCCC1)CC(CC(=O)N1CCCCC1)C
InChI:   InChI=1/C16H28N2O2/c1-14(12-15(19)17-8-4-2-5-9-17)13-16(20)18-10-6-3-7-11-18/h14H,2-13H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.6245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.412 g/mol  logS: -1.71283  SlogP: 2.4277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.043324  Sterimol/B1: 2.13391  Sterimol/B2: 2.44738  Sterimol/B3: 4.4912
  Sterimol/B4: 6.10114  Sterimol/L: 16.8191 
 
 Surface and Volume Properties
  Accessible surface: 549.163  Positive charged surface: 447.528  Negative charged surface: 101.635  Volume: 297.125
  Hydrophobic surface: 486.53  Hydrophilic surface: 62.633
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.