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ENAMINE-ZINC03371271

MMsINC code: MMs01402005

Type: Neutral
Formula: C19H19F2NO4
SMILES:   FC(F)Oc1cc(ccc1)C(OCC(=O)c1cc(n(CC=C)c1C)C)=O
InChI:   InChI=1/C19H19F2NO4/c1-4-8-22-12(2)9-16(13(22)3)17(23)11-25-18(24)14-6-5-7-15(10-14)26-19(20)21/h4-7,9-10,19H,1,8,11H2,2-3H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=86.7497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.36 g/mol  logS: -3.46035  SlogP: 4.61834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174312  Sterimol/B1: 2.36768  Sterimol/B2: 2.95178  Sterimol/B3: 3.75049
  Sterimol/B4: 7.02784  Sterimol/L: 20.0317 
 
 Surface and Volume Properties
  Accessible surface: 626.105  Positive charged surface: 338.978  Negative charged surface: 287.127  Volume: 335.125
  Hydrophobic surface: 411.476  Hydrophilic surface: 214.629
 
 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.