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CHEMDIV-ZINC04920237

 MMsINC code: MMs00967437
Type: Neutral
Formula: C18H14ClFN2O3
SMILES:   Clc1cc2c([nH]c(C(O)=O)c2CC(=O)Nc2cc(F)c(cc2)C)cc1
InChI:   InChI=1/C18H14ClFN2O3/c1-9-2-4-11(7-14(9)20)21-16(23)8-13-12-6-10(19)3-5-15(12)22-17(13)18(24)25/h2-7,22H,8H2,1H3,(H,21,23)(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.4992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.772 g/mol  logS: -5.0183  SlogP: 4.14819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109087  Sterimol/B1: 2.54914  Sterimol/B2: 5.18985  Sterimol/B3: 6.17237
  Sterimol/B4: 6.5575  Sterimol/L: 15.5266 
 
 Surface and Volume Properties
  Accessible surface: 585.35  Positive charged surface: 295.122  Negative charged surface: 287.15  Volume: 309
  Hydrophobic surface: 440.359  Hydrophilic surface: 144.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00967438
CHEMDIV-ZINC04920237