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PUBCHEM-ZINC02147208

MMsINC code: MMs02876760

Type: Neutral
Formula: C11H15FN2O
SMILES:   Fc1ccc(NC(=O)NCCCC)cc1
InChI:   InChI=1/C11H15FN2O/c1-2-3-8-13-11(15)14-10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H2,13,14,15)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=11.0965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.252 g/mol  logS: -2.76737  SlogP: 2.7473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204264  Sterimol/B1: 2.68114  Sterimol/B2: 2.76704  Sterimol/B3: 3.66302
  Sterimol/B4: 4.06733  Sterimol/L: 16.2279 
 
 Surface and Volume Properties
  Accessible surface: 451.803  Positive charged surface: 295.221  Negative charged surface: 156.582  Volume: 207.25
  Hydrophobic surface: 362.201  Hydrophilic surface: 89.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.