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IFLAB-ZINC00119475

 MMsINC code: MMs01974297
Type: Neutral
Formula: C18H14N2O3S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1c2c3c(ccc2)C(=O)Nc3cc1
InChI:   InChI=1/C18H14N2O3S/c1-20(12-6-3-2-4-7-12)24(22,23)16-11-10-15-17-13(16)8-5-9-14(17)18(21)19-15/h2-11H,1H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=109.479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.387 g/mol  logS: -5.32467  SlogP: 3.2306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12318  Sterimol/B1: 2.59988  Sterimol/B2: 3.74706  Sterimol/B3: 4.23365
  Sterimol/B4: 7.32316  Sterimol/L: 14.4537 
 
 Surface and Volume Properties
  Accessible surface: 508.826  Positive charged surface: 264.453  Negative charged surface: 235.479  Volume: 293.875
  Hydrophobic surface: 372.533  Hydrophilic surface: 136.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.