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ENAMINE-ZINC05659469

 MMsINC code: MMs01631288
Type: Neutral
Formula: C11H16N4O3S2
SMILES:   S(=O)(=O)(N(C)C)c1cc(NC(=S)NNC(=O)C)ccc1
InChI:   InChI=1/C11H16N4O3S2/c1-8(16)13-14-11(19)12-9-5-4-6-10(7-9)20(17,18)15(2)3/h4-7H,1-3H3,(H,13,16)(H2,12,14,19)

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Potential Energy
Epot(MMFF94)=79.0932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.406 g/mol  logS: -2.66867  SlogP: 0.2744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433569  Sterimol/B1: 2.74971  Sterimol/B2: 2.94077  Sterimol/B3: 4.30693
  Sterimol/B4: 7.58863  Sterimol/L: 15.6291 
 
 Surface and Volume Properties
  Accessible surface: 537.141  Positive charged surface: 316.719  Negative charged surface: 220.422  Volume: 272.625
  Hydrophobic surface: 330.513  Hydrophilic surface: 206.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.