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NCID-ZINC04416859

 MMsINC code: MMs02386571
Type: Neutral
Formula: C17H34N2O2
SMILES:   O=C(N(CC)CC)CCCCCCCC(=O)N(CC)CC
InChI:   InChI=1/C17H34N2O2/c1-5-18(6-2)16(20)14-12-10-9-11-13-15-17(21)19(7-3)8-4/h5-15H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.471 g/mol  logS: -2.74558  SlogP: 3.4539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222379  Sterimol/B1: 2.41635  Sterimol/B2: 2.64045  Sterimol/B3: 3.28746
  Sterimol/B4: 6.34037  Sterimol/L: 20.3804 
 
 Surface and Volume Properties
  Accessible surface: 644.229  Positive charged surface: 499.156  Negative charged surface: 145.072  Volume: 337
  Hydrophobic surface: 508.044  Hydrophilic surface: 136.185
 
 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.