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ASINEX-ZINC04546937

 MMsINC code: MMs00351380
Type: Neutral
Formula: C14H20N2O4
SMILES:   O=C1N(CCC1)C(=O)CCCCC(=O)N1CCCC1=O
InChI:   InChI=1/C14H20N2O4/c17-11(15-9-3-7-13(15)19)5-1-2-6-12(18)16-10-4-8-14(16)20/h1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.3634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.324 g/mol  logS: -1.13076  SlogP: 0.8448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01915  Sterimol/B1: 2.5644  Sterimol/B2: 2.92127  Sterimol/B3: 3.40934
  Sterimol/B4: 3.95219  Sterimol/L: 18.1507 
 
 Surface and Volume Properties
  Accessible surface: 530.292  Positive charged surface: 390.14  Negative charged surface: 140.152  Volume: 266.5
  Hydrophobic surface: 397.677  Hydrophilic surface: 132.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.