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ENAMINE-ZINC03384093

 MMsINC code: MMs01409055
Type: Neutral
Formula: C16H16N2O4S
SMILES:   s1ccc(C)c1C(OCC(=O)NC(=O)NCc1ccccc1)=O
InChI:   InChI=1/C16H16N2O4S/c1-11-7-8-23-14(11)15(20)22-10-13(19)18-16(21)17-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H2,17,18,19,21)

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Potential Energy
Epot(MMFF94)=41.4088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.38 g/mol  logS: -3.90275  SlogP: 2.50572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239734  Sterimol/B1: 1.969  Sterimol/B2: 3.61841  Sterimol/B3: 3.61927
  Sterimol/B4: 6.01964  Sterimol/L: 20.3751 
 
 Surface and Volume Properties
  Accessible surface: 603.596  Positive charged surface: 336.986  Negative charged surface: 266.611  Volume: 301.375
  Hydrophobic surface: 461.567  Hydrophilic surface: 142.029
 
 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: no related molecules available.