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ENAMINE-ZINC07058740

 MMsINC code: MMs01721424
Type: Neutral
Formula: C20H14FNO3S
SMILES:   S(=O)(=O)(\C(=C\c1cc2c(cc(OC)cc2)cc1)\C#N)c1ccc(F)cc1
InChI:   InChI=1/C20H14FNO3S/c1-25-18-7-4-15-10-14(2-3-16(15)12-18)11-20(13-22)26(23,24)19-8-5-17(21)6-9-19/h2-12H,1H3/b20-11+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.8789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.4 g/mol  logS: -6.46545  SlogP: 4.32588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607937  Sterimol/B1: 3.07229  Sterimol/B2: 3.7463  Sterimol/B3: 5.22943
  Sterimol/B4: 5.37858  Sterimol/L: 18.2475 
 
 Surface and Volume Properties
  Accessible surface: 598.448  Positive charged surface: 292.212  Negative charged surface: 294.906  Volume: 324.25
  Hydrophobic surface: 482.259  Hydrophilic surface: 116.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.