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PUBCHEM-ZINC05980349

 MMsINC code: MMs03475661
Type: Neutral
Formula: C17H18ClFN2O2
SMILES:   Clc1cc(NC(=O)NCCc2ccc(OCC)cc2)ccc1F
InChI:   InChI=1/C17H18ClFN2O2/c1-2-23-14-6-3-12(4-7-14)9-10-20-17(22)21-13-5-8-16(19)15(18)11-13/h3-8,11H,2,9-10H2,1H3,(H2,20,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.0834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.794 g/mol  logS: -4.66442  SlogP: 4.24197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314217  Sterimol/B1: 3.34678  Sterimol/B2: 3.55532  Sterimol/B3: 3.88013
  Sterimol/B4: 5.41776  Sterimol/L: 20.8999 
 
 Surface and Volume Properties
  Accessible surface: 609.285  Positive charged surface: 347.303  Negative charged surface: 261.982  Volume: 309.875
  Hydrophobic surface: 511.093  Hydrophilic surface: 98.192
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.