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ENAMINE-ZINC03389455

 MMsINC code: MMs01412772
Type: Neutral
Formula: C19H13F2NO3
SMILES:   Fc1cccc(F)c1NC(=O)COC(=O)c1cc2c(cc1)cccc2
InChI:   InChI=1/C19H13F2NO3/c20-15-6-3-7-16(21)18(15)22-17(23)11-25-19(24)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.313 g/mol  logS: -6.23088  SlogP: 3.9135  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0290666  Sterimol/B1: 3.20519  Sterimol/B2: 3.7974  Sterimol/B3: 3.93309
  Sterimol/B4: 5.36787  Sterimol/L: 19.0902 
 
 Surface and Volume Properties
  Accessible surface: 584.509  Positive charged surface: 292.464  Negative charged surface: 281.553  Volume: 300.125
  Hydrophobic surface: 496.952  Hydrophilic surface: 87.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.