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PUBCHEM-ZINC05481094

 MMsINC code: MMs03281715
Type: Neutral
Formula: C10H10N4O2S2
SMILES:   s1cc(nc1NC(=O)C)-c1nc(sc1)NC(=O)C
InChI:   InChI=1/C10H10N4O2S2/c1-5(15)11-9-13-7(3-17-9)8-4-18-10(14-8)12-6(2)16/h3-4H,1-2H3,(H,11,13,15)(H,12,14,16)

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Potential Energy
Epot(MMFF94)=31.5585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.348 g/mol  logS: -3.1105  SlogP: 2.1834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00528451  Sterimol/B1: 2.37539  Sterimol/B2: 2.37556  Sterimol/B3: 3.82625
  Sterimol/B4: 4.34734  Sterimol/L: 17.5623 
 
 Surface and Volume Properties
  Accessible surface: 482.363  Positive charged surface: 260.125  Negative charged surface: 222.237  Volume: 236.25
  Hydrophobic surface: 319.572  Hydrophilic surface: 162.791
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.