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MAYBRIDGE-ZINC00110248

 MMsINC code: MMs02133303
Type: Neutral
Formula: C17H13F2NO4
SMILES:   Fc1cc(F)ccc1-c1oc(cc1)COC(=O)c1c(noc1C)C
InChI:   InChI=1/C17H13F2NO4/c1-9-16(10(2)24-20-9)17(21)22-8-12-4-6-15(23-12)13-5-3-11(18)7-14(13)19/h3-7H,8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.2262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.29 g/mol  logS: -5.54435  SlogP: 4.45304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874245  Sterimol/B1: 2.78723  Sterimol/B2: 3.23234  Sterimol/B3: 4.67745
  Sterimol/B4: 7.06738  Sterimol/L: 16.5939 
 
 Surface and Volume Properties
  Accessible surface: 584.665  Positive charged surface: 285.689  Negative charged surface: 298.976  Volume: 289.625
  Hydrophobic surface: 510.937  Hydrophilic surface: 73.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.