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ENAMINE-ZINC04580605

 MMsINC code: MMs01548908
Type: Neutral
Formula: C19H16FNO4
SMILES:   Fc1ccc(OCCOC(=O)c2c(noc2C)-c2ccccc2)cc1
InChI:   InChI=1/C19H16FNO4/c1-13-17(18(21-25-13)14-5-3-2-4-6-14)19(22)24-12-11-23-16-9-7-15(20)8-10-16/h2-10H,11-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.7033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.338 g/mol  logS: -5.26123  SlogP: 4.02492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074626  Sterimol/B1: 2.43751  Sterimol/B2: 3.41001  Sterimol/B3: 4.02126
  Sterimol/B4: 9.57674  Sterimol/L: 17.0031 
 
 Surface and Volume Properties
  Accessible surface: 604.068  Positive charged surface: 311.227  Negative charged surface: 292.841  Volume: 313.125
  Hydrophobic surface: 542.301  Hydrophilic surface: 61.767
 
 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.