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ASINEX-ZINC02221477

 MMsINC code: MMs00265666
Type: Neutral
Formula: C12H13FN2O2S
SMILES:   S(CCN)C1CC(=O)N(C1=O)c1ccc(F)cc1
InChI:   InChI=1/C12H13FN2O2S/c13-8-1-3-9(4-2-8)15-11(16)7-10(12(15)17)18-6-5-14/h1-4,10H,5-7,14H2/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.9749 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.312 g/mol  logS: -2.87727  SlogP: 1.1495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0996957  Sterimol/B1: 2.44789  Sterimol/B2: 3.47996  Sterimol/B3: 4.91835
  Sterimol/B4: 5.37013  Sterimol/L: 14.4687 
 
 Surface and Volume Properties
  Accessible surface: 481.157  Positive charged surface: 279.749  Negative charged surface: 201.408  Volume: 234.375
  Hydrophobic surface: 322.721  Hydrophilic surface: 158.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00265667
ASINEX-ZINC02221477