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ASINEX-ZINC04894848

 MMsINC code: MMs00397436
Type: Neutral
Formula: C18H16N2O4S
SMILES:   S(CC(=O)c1cc(OC)c(OC)cc1)C1=NC(=O)c2c(N1)cccc2
InChI:   InChI=1/C18H16N2O4S/c1-23-15-8-7-11(9-16(15)24-2)14(21)10-25-18-19-13-6-4-3-5-12(13)17(22)20-18/h3-9H,10H2,1-2H3,(H,19,20,22)

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Potential Energy
Epot(MMFF94)=81.9004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.402 g/mol  logS: -5.4393  SlogP: 3.2416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0046668  Sterimol/B1: 1.969  Sterimol/B2: 2.37548  Sterimol/B3: 2.3832
  Sterimol/B4: 7.56942  Sterimol/L: 18.641 
 
 Surface and Volume Properties
  Accessible surface: 615.372  Positive charged surface: 392.598  Negative charged surface: 222.774  Volume: 322.5
  Hydrophobic surface: 447.537  Hydrophilic surface: 167.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.