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PUBCHEM-ZINC02040764

MMsINC code: MMs02862838

Type: Neutral
Formula: C7H16FN
SMILES:   FCCCCCCCN
InChI:   InChI=1/C7H16FN/c8-6-4-2-1-3-5-7-9/h1-7,9H2

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=-2.59051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.21 g/mol  logS: -0.92789  SlogP: 1.8651  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0495519  Sterimol/B1: 2.26533  Sterimol/B2: 2.47128  Sterimol/B3: 2.58141
  Sterimol/B4: 3.17577  Sterimol/L: 13.4634 
 
 Surface and Volume Properties
  Accessible surface: 362.347  Positive charged surface: 289.644  Negative charged surface: 72.7029  Volume: 153.625
  Hydrophobic surface: 257.634  Hydrophilic surface: 104.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs02862839
PUBCHEM-ZINC02040764