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ENAMINE-ZINC06946005

 MMsINC code: MMs01715997
Type: Neutral
Formula: C19H16N2O3S
SMILES:   s1c(cc(C(=O)N)c1NC(=O)c1cc(OC)ccc1)-c1ccccc1
InChI:   InChI=1/C19H16N2O3S/c1-24-14-9-5-8-13(10-14)18(23)21-19-15(17(20)22)11-16(25-19)12-6-3-2-4-7-12/h2-11H,1H3,(H2,20,22)(H,21,23)

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Potential Energy
Epot(MMFF94)=84.6776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.414 g/mol  logS: -6.01756  SlogP: 3.7749  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00170239  Sterimol/B1: 2.3748  Sterimol/B2: 2.3753  Sterimol/B3: 3.58289
  Sterimol/B4: 8.14328  Sterimol/L: 18.632 
 
 Surface and Volume Properties
  Accessible surface: 590.643  Positive charged surface: 334.682  Negative charged surface: 255.961  Volume: 322.125
  Hydrophobic surface: 457.096  Hydrophilic surface: 133.547
 
 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.