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ENAMINE-ZINC03442419

 MMsINC code: MMs01445009
Type: Neutral
Formula: C16H16FN3O4S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CNC(=O)CNC(=O)c1ccc(F)cc1
InChI:   InChI=1/C16H16FN3O4S/c17-13-5-3-12(4-6-13)16(22)20-10-15(21)19-9-11-1-7-14(8-2-11)25(18,23)24/h1-8H,9-10H2,(H,19,21)(H,20,22)(H2,18,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.5011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.385 g/mol  logS: -3.99307  SlogP: 0.7857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255666  Sterimol/B1: 2.43108  Sterimol/B2: 3.50329  Sterimol/B3: 4.42819
  Sterimol/B4: 4.81754  Sterimol/L: 21.2211 
 
 Surface and Volume Properties
  Accessible surface: 612.253  Positive charged surface: 319.537  Negative charged surface: 292.716  Volume: 308.125
  Hydrophobic surface: 381.151  Hydrophilic surface: 231.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01445010
ENAMINE-ZINC03442419