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ENAMINE-ZINC03277485

 MMsINC code: MMs01346010
Type: Neutral
Formula: C11H12N4O3S2
SMILES:   S\1C=CN(CC(=O)N)/C/1=N\S(=O)(=O)c1ccc(N)cc1
InChI:   InChI=1/C11H12N4O3S2/c12-8-1-3-9(4-2-8)20(17,18)14-11-15(5-6-19-11)7-10(13)16/h1-6H,7,12H2,(H2,13,16)/b14-11+

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Potential Energy
Epot(MMFF94)=119.932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.374 g/mol  logS: -2.43857  SlogP: 0.3188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0723659  Sterimol/B1: 2.73508  Sterimol/B2: 4.29488  Sterimol/B3: 4.38296
  Sterimol/B4: 5.67071  Sterimol/L: 14.6262 
 
 Surface and Volume Properties
  Accessible surface: 493.555  Positive charged surface: 254.805  Negative charged surface: 238.751  Volume: 250.875
  Hydrophobic surface: 239.329  Hydrophilic surface: 254.226
 
 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.