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ENAMINE-ZINC03248879

 MMsINC code: MMs01329445
Type: Neutral
Formula: C17H16N2O4S2
SMILES:   s1c2c(nc1COC(=O)CNS(=O)(=O)c1ccc(cc1)C)cccc2
InChI:   InChI=1/C17H16N2O4S2/c1-12-6-8-13(9-7-12)25(21,22)18-10-17(20)23-11-16-19-14-4-2-3-5-15(14)24-16/h2-9,18H,10-11H2,1H3

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Potential Energy
Epot(MMFF94)=43.9387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.457 g/mol  logS: -4.38978  SlogP: 2.89282  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.050328  Sterimol/B1: 2.29784  Sterimol/B2: 3.68509  Sterimol/B3: 4.40483
  Sterimol/B4: 8.10447  Sterimol/L: 18.3029 
 
 Surface and Volume Properties
  Accessible surface: 635.388  Positive charged surface: 328.086  Negative charged surface: 307.301  Volume: 325.625
  Hydrophobic surface: 478.693  Hydrophilic surface: 156.695
 
 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.