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ASINEX-ZINC00251377

 MMsINC code: MMs00099741
Type: Neutral
Formula: C18H34N2O
SMILES:   O=C(N(C1CCCCC1)C1CCCCC1)CNCC(C)C
InChI:   InChI=1/C18H34N2O/c1-15(2)13-19-14-18(21)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h15-17,19H,3-14H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.483 g/mol  logS: -3.09709  SlogP: 3.726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125126  Sterimol/B1: 3.30841  Sterimol/B2: 3.979  Sterimol/B3: 4.04341
  Sterimol/B4: 7.7218  Sterimol/L: 15.0959 
 
 Surface and Volume Properties
  Accessible surface: 578.693  Positive charged surface: 459.27  Negative charged surface: 119.423  Volume: 327.125
  Hydrophobic surface: 511.591  Hydrophilic surface: 67.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.