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NCID-ZINC01654027

 MMsINC code: MMs02292878
Type: Neutral
Formula: C19H14N2O4S
SMILES:   S1(=O)(=O)N(C(=O)c2cc(cnc12)C)c1ccc(Oc2ccccc2)cc1
InChI:   InChI=1/C19H14N2O4S/c1-13-11-17-18(20-12-13)26(23,24)21(19(17)22)14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-12H,1H3

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Potential Energy
Epot(MMFF94)=116.264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.397 g/mol  logS: -4.64663  SlogP: 3.53142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0309065  Sterimol/B1: 2.77787  Sterimol/B2: 3.62994  Sterimol/B3: 4.17018
  Sterimol/B4: 4.72499  Sterimol/L: 19.4334 
 
 Surface and Volume Properties
  Accessible surface: 591.158  Positive charged surface: 304.57  Negative charged surface: 286.588  Volume: 317.625
  Hydrophobic surface: 472.618  Hydrophilic surface: 118.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.