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ENAMINE-ZINC05346911

 MMsINC code: MMs01608350
Type: Neutral
Formula: C18H19ClFNO2
SMILES:   Clc1cc(C)c(OCC(=O)NCCc2ccc(F)cc2)c(c1)C
InChI:   InChI=1/C18H19ClFNO2/c1-12-9-15(19)10-13(2)18(12)23-11-17(22)21-8-7-14-3-5-16(20)6-4-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.806 g/mol  logS: -4.78741  SlogP: 3.83361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.025885  Sterimol/B1: 2.24331  Sterimol/B2: 2.82334  Sterimol/B3: 3.6097
  Sterimol/B4: 7.25754  Sterimol/L: 20.1876 
 
 Surface and Volume Properties
  Accessible surface: 606.975  Positive charged surface: 320.297  Negative charged surface: 286.677  Volume: 316.75
  Hydrophobic surface: 553.119  Hydrophilic surface: 53.856
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.