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ENAMINE-ZINC06590080

 MMsINC code: MMs01681196
Type: Neutral
Formula: C11H9N3O5S
SMILES:   s1ccc(NC=C2C(=O)NC(=O)NC2=O)c1C(OC)=O
InChI:   InChI=1/C11H9N3O5S/c1-19-10(17)7-6(2-3-20-7)12-4-5-8(15)13-11(18)14-9(5)16/h2-4,12H,1H3,(H2,13,14,15,16,18)

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Potential Energy
Epot(MMFF94)=-0.429639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.275 g/mol  logS: -2.58915  SlogP: 0.1965  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00564865  Sterimol/B1: 1.969  Sterimol/B2: 2.35205  Sterimol/B3: 2.39678
  Sterimol/B4: 8.16856  Sterimol/L: 14.2524 
 
 Surface and Volume Properties
  Accessible surface: 470.095  Positive charged surface: 257.734  Negative charged surface: 212.362  Volume: 233.75
  Hydrophobic surface: 248.285  Hydrophilic surface: 221.81
 
 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.