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VITASM-ZINC04591645

 MMsINC code: MMs03953310
Type: Neutral
Formula: C16H14N2O4S2
SMILES:   S\1\C(=C\c2oc(cc2)C)\C(=O)N/C/1=N/S(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-

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Potential Energy
Epot(MMFF94)=21.8246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.43 g/mol  logS: -5.77126  SlogP: 2.84524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0351547  Sterimol/B1: 3.61662  Sterimol/B2: 3.61902  Sterimol/B3: 4.63864
  Sterimol/B4: 6.52878  Sterimol/L: 18.1284 
 
 Surface and Volume Properties
  Accessible surface: 599.242  Positive charged surface: 302.653  Negative charged surface: 296.589  Volume: 308
  Hydrophobic surface: 434.612  Hydrophilic surface: 164.63
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.