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IFLAB-ZINC04479912

 MMsINC code: MMs02053431
Type: Neutral
Formula: C19H14N2O5S
SMILES:   s1c2cc(OC)c(OC)cc2nc1NC(=O)C=1Oc2c(cccc2)C(=O)C=1
InChI:   InChI=1/C19H14N2O5S/c1-24-14-7-11-17(9-15(14)25-2)27-19(20-11)21-18(23)16-8-12(22)10-5-3-4-6-13(10)26-16/h3-9H,1-2H3,(H,20,21,23)

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Potential Energy
Epot(MMFF94)=101.331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.396 g/mol  logS: -6.16463  SlogP: 3.4112  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00277054  Sterimol/B1: 2.09076  Sterimol/B2: 2.37474  Sterimol/B3: 2.37543
  Sterimol/B4: 7.86803  Sterimol/L: 19.7455 
 
 Surface and Volume Properties
  Accessible surface: 619.981  Positive charged surface: 391.817  Negative charged surface: 228.165  Volume: 333.625
  Hydrophobic surface: 479.394  Hydrophilic surface: 140.587
 
 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.