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NCID-ZINC01587906

 MMsINC code: MMs02243593
Type: Neutral
Formula: C10H20N2O2
SMILES:   O=C(N)CCCCCCCCC(=O)N
InChI:   InChI=1/C10H20N2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2,(H2,11,13)(H2,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.24976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -2.37592  SlogP: 1.0778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0202892  Sterimol/B1: 2.37495  Sterimol/B2: 2.37595  Sterimol/B3: 2.94673
  Sterimol/B4: 3.83192  Sterimol/L: 17.851 
 
 Surface and Volume Properties
  Accessible surface: 459.47  Positive charged surface: 354.874  Negative charged surface: 104.596  Volume: 216.875
  Hydrophobic surface: 247.519  Hydrophilic surface: 211.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.