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ENAMINE-ZINC05824060

MMsINC code: MMs01641013

Type: Neutral
Formula: C19H15NO2S
SMILES:   s1cccc1CNC(=O)c1ccc(cc1)C(=O)c1ccccc1
InChI:   InChI=1/C19H15NO2S/c21-18(14-5-2-1-3-6-14)15-8-10-16(11-9-15)19(22)20-13-17-7-4-12-23-17/h1-12H,13H2,(H,20,22)

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Potential Energy
Epot(MMFF94)=87.4665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.4 g/mol  logS: -5.17839  SlogP: 4.1755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311609  Sterimol/B1: 2.47328  Sterimol/B2: 3.16862  Sterimol/B3: 4.07516
  Sterimol/B4: 7.95361  Sterimol/L: 16.5238 
 
 Surface and Volume Properties
  Accessible surface: 579.142  Positive charged surface: 283.436  Negative charged surface: 295.706  Volume: 304.5
  Hydrophobic surface: 494.862  Hydrophilic surface: 84.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.