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ENAMINE-ZINC06113952

MMsINC code: MMs01657903

Type: Neutral
Formula: C18H16F2N2O5
SMILES:   Fc1cc(OC)ccc1C(OCC(=O)NCC(=O)Nc1ccc(F)cc1)=O
InChI:   InChI=1/C18H16F2N2O5/c1-26-13-6-7-14(15(20)8-13)18(25)27-10-17(24)21-9-16(23)22-12-4-2-11(19)3-5-12/h2-8H,9-10H2,1H3,(H,21,24)(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=95.1047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.331 g/mol  logS: -4.57595  SlogP: 1.8851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00653423  Sterimol/B1: 2.68213  Sterimol/B2: 2.72912  Sterimol/B3: 3.7726
  Sterimol/B4: 4.32452  Sterimol/L: 23.4141 
 
 Surface and Volume Properties
  Accessible surface: 643.547  Positive charged surface: 385.782  Negative charged surface: 257.765  Volume: 325.375
  Hydrophobic surface: 498.743  Hydrophilic surface: 144.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.