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ENAMINE-ZINC02641419

 MMsINC code: MMs01269347
Type: Neutral
Formula: C15H14F2N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)c1cc(F)cc(F)c1
InChI:   InChI=1/C15H14F2N2O3S/c16-12-7-11(8-13(17)9-12)15(20)19-6-5-10-1-3-14(4-2-10)23(18,21)22/h1-4,7-9H,5-6H2,(H,19,20)(H2,18,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.1738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.35 g/mol  logS: -4.17695  SlogP: 1.58467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0371358  Sterimol/B1: 2.41993  Sterimol/B2: 3.85173  Sterimol/B3: 4.19569
  Sterimol/B4: 4.81595  Sterimol/L: 18.857 
 
 Surface and Volume Properties
  Accessible surface: 561.761  Positive charged surface: 270.781  Negative charged surface: 290.98  Volume: 284
  Hydrophobic surface: 386.232  Hydrophilic surface: 175.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01269348
ENAMINE-ZINC02641419