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CHEMBLOCK-ZINC03670080

 MMsINC code: MMs00540048
Type: Neutral
Formula: C15H9FN2O4
SMILES:   Fc1ccccc1-c1oc(cc1)C=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C15H9FN2O4/c16-11-4-2-1-3-9(11)12-6-5-8(22-12)7-10-13(19)17-15(21)18-14(10)20/h1-7H,(H2,17,18,19,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.7833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.245 g/mol  logS: -5.25283  SlogP: 1.8351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0831929  Sterimol/B1: 2.44026  Sterimol/B2: 3.98848  Sterimol/B3: 4.76355
  Sterimol/B4: 5.81203  Sterimol/L: 14.3815 
 
 Surface and Volume Properties
  Accessible surface: 493.625  Positive charged surface: 258.203  Negative charged surface: 235.422  Volume: 249.875
  Hydrophobic surface: 308.793  Hydrophilic surface: 184.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.