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ENAMINE-ZINC03301975

 MMsINC code: MMs01359089
Type: Neutral
Formula: C18H17FN2O4
SMILES:   Fc1cc(ccc1)C(OC(C(=O)Nc1ccc(NC(=O)C)cc1)C)=O
InChI:   InChI=1/C18H17FN2O4/c1-11(25-18(24)13-4-3-5-14(19)10-13)17(23)21-16-8-6-15(7-9-16)20-12(2)22/h3-11H,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.8768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.342 g/mol  logS: -4.59468  SlogP: 2.9681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426773  Sterimol/B1: 2.2514  Sterimol/B2: 2.47616  Sterimol/B3: 4.67214
  Sterimol/B4: 7.56508  Sterimol/L: 19.5304 
 
 Surface and Volume Properties
  Accessible surface: 614.497  Positive charged surface: 338.368  Negative charged surface: 276.129  Volume: 312.875
  Hydrophobic surface: 473.692  Hydrophilic surface: 140.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.