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PUBCHEM-ZINC05307965

 MMsINC code: MMs03236130
Type: Neutral
Formula: C11H14FNO
SMILES:   Fc1ccc(cc1)CNC(=O)CCC
InChI:   InChI=1/C11H14FNO/c1-2-3-11(14)13-8-9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.0177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.237 g/mol  logS: -2.55034  SlogP: 2.5084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073298  Sterimol/B1: 2.11388  Sterimol/B2: 3.61893  Sterimol/B3: 3.62489
  Sterimol/B4: 4.29543  Sterimol/L: 14.8737 
 
 Surface and Volume Properties
  Accessible surface: 430.906  Positive charged surface: 266.999  Negative charged surface: 163.907  Volume: 195.625
  Hydrophobic surface: 357.075  Hydrophilic surface: 73.831
 
 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: no related molecules available.