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CHEMBRIDGE-ZINC02894001

MMsINC code: MMs00737332

Type: Neutral
Formula: C16H16FNO
SMILES:   Fc1ccccc1NCc1ccccc1OCC=C
InChI:   InChI=1/C16H16FNO/c1-2-11-19-16-10-6-3-7-13(16)12-18-15-9-5-4-8-14(15)17/h2-10,18H,1,11-12H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=71.4063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.308 g/mol  logS: -3.79083  SlogP: 4.269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106447  Sterimol/B1: 2.49989  Sterimol/B2: 3.15211  Sterimol/B3: 4.55878
  Sterimol/B4: 9.80228  Sterimol/L: 13.5852 
 
 Surface and Volume Properties
  Accessible surface: 517.64  Positive charged surface: 293.945  Negative charged surface: 223.695  Volume: 258.625
  Hydrophobic surface: 442.193  Hydrophilic surface: 75.447
 
 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.