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ENAMINE-ZINC03461680

 MMsINC code: MMs01457489
Type: Neutral
Formula: C16H16N2O4S
SMILES:   s1cccc1CNC(=O)COC(=O)c1cc(NC(=O)C)ccc1
InChI:   InChI=1/C16H16N2O4S/c1-11(19)18-13-5-2-4-12(8-13)16(21)22-10-15(20)17-9-14-6-3-7-23-14/h2-8H,9-10H2,1H3,(H,17,20)(H,18,19)

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Potential Energy
Epot(MMFF94)=61.0538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.38 g/mol  logS: -3.7232  SlogP: 2.4461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0162346  Sterimol/B1: 2.1703  Sterimol/B2: 3.30199  Sterimol/B3: 3.90994
  Sterimol/B4: 7.32364  Sterimol/L: 20.262 
 
 Surface and Volume Properties
  Accessible surface: 604.782  Positive charged surface: 335.905  Negative charged surface: 268.877  Volume: 301.875
  Hydrophobic surface: 458.549  Hydrophilic surface: 146.233
 
 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.