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PUBCHEM-ZINC06411230

 MMsINC code: MMs03714452
Type: Neutral
Formula: C17H19ClFN3O3
SMILES:   Clc1ccc(nc1)NC(=O)NCCc1c(F)c(OCC)ccc1OC
InChI:   InChI=1/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.8592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.808 g/mol  logS: -3.76792  SlogP: 3.64557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575688  Sterimol/B1: 2.27856  Sterimol/B2: 3.96212  Sterimol/B3: 4.09341
  Sterimol/B4: 9.24522  Sterimol/L: 20.0572 
 
 Surface and Volume Properties
  Accessible surface: 647.807  Positive charged surface: 422.697  Negative charged surface: 225.11  Volume: 328.875
  Hydrophobic surface: 531.049  Hydrophilic surface: 116.758
 
 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.