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PUBCHEM-ZINC01841723

 MMsINC code: MMs02821888
Type: Neutral
Formula: C22H17ClFNO3
SMILES:   Clc1cc(N(C(=O)c2ccccc2)C(Cc2ccccc2)C(O)=O)ccc1F
InChI:   InChI=1/C22H17ClFNO3/c23-18-14-17(11-12-19(18)24)25(21(26)16-9-5-2-6-10-16)20(22(27)28)13-15-7-3-1-4-8-15/h1-12,14,20H,13H2,(H,27,28)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.833 g/mol  logS: -6.10336  SlogP: 4.82177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195735  Sterimol/B1: 4.07494  Sterimol/B2: 4.18219  Sterimol/B3: 4.51328
  Sterimol/B4: 8.17924  Sterimol/L: 13.6243 
 
 Surface and Volume Properties
  Accessible surface: 575.927  Positive charged surface: 288.099  Negative charged surface: 287.827  Volume: 352.25
  Hydrophobic surface: 492.484  Hydrophilic surface: 83.443
 
 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


MMs02821889
PUBCHEM-ZINC01841723