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ENAMINE-ZINC03520106

 MMsINC code: MMs01488325
Type: Neutral
Formula: C21H18FNO5
SMILES:   Fc1ccc(cc1)C(=O)COC(=O)c1cc(OCc2c(noc2C)C)ccc1
InChI:   InChI=1/C21H18FNO5/c1-13-19(14(2)28-23-13)11-26-18-5-3-4-16(10-18)21(25)27-12-20(24)15-6-8-17(22)9-7-15/h3-10H,11-12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.9002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.375 g/mol  logS: -5.25225  SlogP: 4.31564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482922  Sterimol/B1: 2.04408  Sterimol/B2: 3.61112  Sterimol/B3: 5.86964
  Sterimol/B4: 7.15974  Sterimol/L: 21.1006 
 
 Surface and Volume Properties
  Accessible surface: 665.564  Positive charged surface: 344.319  Negative charged surface: 321.245  Volume: 350
  Hydrophobic surface: 556.22  Hydrophilic surface: 109.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.