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NCID-ZINC01621154

 MMsINC code: MMs02269107
Type: Neutral
Formula: C9H18N2O2
SMILES:   O=C(N)CCCCCCCC(=O)N
InChI:   InChI=1/C9H18N2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-7H2,(H2,10,12)(H2,11,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.19496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.255 g/mol  logS: -1.8607  SlogP: 0.6877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0230106  Sterimol/B1: 2.37498  Sterimol/B2: 2.37598  Sterimol/B3: 2.94062
  Sterimol/B4: 2.99868  Sterimol/L: 16.6027 
 
 Surface and Volume Properties
  Accessible surface: 435.682  Positive charged surface: 331.918  Negative charged surface: 103.764  Volume: 195.875
  Hydrophobic surface: 219.194  Hydrophilic surface: 216.488
 
 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.