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PUBCHEM-ZINC01159584

 MMsINC code: MMs02780846
Type: Neutral
Formula: C19H20N2O3S
SMILES:   S=C(Nc1ccc(cc1)C(O)=O)NC(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C19H20N2O3S/c1-19(2,3)14-8-4-12(5-9-14)16(22)21-18(25)20-15-10-6-13(7-11-15)17(23)24/h4-11H,1-3H3,(H,23,24)(H2,20,21,22,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.446 g/mol  logS: -6.80734  SlogP: 3.8091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228333  Sterimol/B1: 2.45298  Sterimol/B2: 3.20641  Sterimol/B3: 4.58256
  Sterimol/B4: 4.80035  Sterimol/L: 20.2253 
 
 Surface and Volume Properties
  Accessible surface: 614.098  Positive charged surface: 345.245  Negative charged surface: 268.854  Volume: 335
  Hydrophobic surface: 356.675  Hydrophilic surface: 257.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02780847
PUBCHEM-ZINC01159584