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ENAMINE-ZINC03448497

 MMsINC code: MMs01448900
Type: Neutral
Formula: C15H16N2O3S
SMILES:   s1cccc1CNC(=O)COc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C15H16N2O3S/c1-11(18)17-12-4-6-13(7-5-12)20-10-15(19)16-9-14-3-2-8-21-14/h2-8H,9-10H2,1H3,(H,16,19)(H,17,18)

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Potential Energy
Epot(MMFF94)=64.8416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.37 g/mol  logS: -3.39185  SlogP: 2.6681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019857  Sterimol/B1: 2.83763  Sterimol/B2: 3.06215  Sterimol/B3: 4.14367
  Sterimol/B4: 5.01374  Sterimol/L: 19.7392 
 
 Surface and Volume Properties
  Accessible surface: 571.901  Positive charged surface: 322.667  Negative charged surface: 249.234  Volume: 281.5
  Hydrophobic surface: 455.787  Hydrophilic surface: 116.114
 
 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.