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ENAMINE-ZINC03434394

 MMsINC code: MMs01439635
Type: Neutral
Formula: C19H22F2N2O3
SMILES:   Fc1cc(F)ccc1NC(=O)Nc1cc(OCCC)c(OCCC)cc1
InChI:   InChI=1/C19H22F2N2O3/c1-3-9-25-17-8-6-14(12-18(17)26-10-4-2)22-19(24)23-16-7-5-13(20)11-15(16)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,22,23,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.1344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.392 g/mol  logS: -5.00073  SlogP: 5.1864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.039722  Sterimol/B1: 1.969  Sterimol/B2: 3.38239  Sterimol/B3: 3.80675
  Sterimol/B4: 11.7604  Sterimol/L: 17.4553 
 
 Surface and Volume Properties
  Accessible surface: 665.449  Positive charged surface: 428.895  Negative charged surface: 236.554  Volume: 337.125
  Hydrophobic surface: 551.427  Hydrophilic surface: 114.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.