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ENAMINE-ZINC03611827

 MMsINC code: MMs01524323
Type: Neutral
Formula: C17H17ClFNO3
SMILES:   Clc1cc(F)c(NC(=O)CCc2cc(OC)c(OC)cc2)cc1
InChI:   InChI=1/C17H17ClFNO3/c1-22-15-7-3-11(9-16(15)23-2)4-8-17(21)20-14-6-5-12(18)10-13(14)19/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.2267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.778 g/mol  logS: -4.42829  SlogP: 4.06757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477064  Sterimol/B1: 2.43815  Sterimol/B2: 3.15197  Sterimol/B3: 3.99803
  Sterimol/B4: 7.14016  Sterimol/L: 19.624 
 
 Surface and Volume Properties
  Accessible surface: 595.879  Positive charged surface: 370.531  Negative charged surface: 225.347  Volume: 305.5
  Hydrophobic surface: 536.874  Hydrophilic surface: 59.005
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.