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PUBCHEM-ZINC03659311

 MMsINC code: MMs03035675
Type: Neutral
Formula: C18H14ClFN2O3
SMILES:   Clc1cc(ccc1OC)\C=C/1\NC(=O)N(Cc2ccccc2F)C\1=O
InChI:   InChI=1/C18H14ClFN2O3/c1-25-16-7-6-11(8-13(16)19)9-15-17(23)22(18(24)21-15)10-12-4-2-3-5-14(12)20/h2-9H,10H2,1H3,(H,21,24)/b15-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.7525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.772 g/mol  logS: -5.22131  SlogP: 3.847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117777  Sterimol/B1: 2.49475  Sterimol/B2: 2.83726  Sterimol/B3: 5.91328
  Sterimol/B4: 7.30354  Sterimol/L: 15.7602 
 
 Surface and Volume Properties
  Accessible surface: 574.594  Positive charged surface: 330.094  Negative charged surface: 244.5  Volume: 311.625
  Hydrophobic surface: 479.222  Hydrophilic surface: 95.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.