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ENAMINE-ZINC03518200

 MMsINC code: MMs01487398
Type: Neutral
Formula: C19H16FNO4
SMILES:   Fc1cc(ccc1OC)COC(=O)c1c(noc1C)-c1ccccc1
InChI:   InChI=1/C19H16FNO4/c1-12-17(18(21-25-12)14-6-4-3-5-7-14)19(22)24-11-13-8-9-16(23-2)15(20)10-13/h3-10H,11H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.8365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.338 g/mol  logS: -5.23479  SlogP: 4.42112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611416  Sterimol/B1: 2.36377  Sterimol/B2: 3.12609  Sterimol/B3: 4.17851
  Sterimol/B4: 9.95256  Sterimol/L: 16.6811 
 
 Surface and Volume Properties
  Accessible surface: 588.884  Positive charged surface: 317.345  Negative charged surface: 271.538  Volume: 312.5
  Hydrophobic surface: 516.459  Hydrophilic surface: 72.425
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.