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ASINEX-ZINC04131535

 MMsINC code: MMs00308109
Type: Neutral
Formula: C10H11N5O2S2
SMILES:   s1cc(nc1NC(=O)CSC=1NC(=O)C=C(N=1)N)C
InChI:   InChI=1/C10H11N5O2S2/c1-5-3-18-9(12-5)15-8(17)4-19-10-13-6(11)2-7(16)14-10/h2-3H,4H2,1H3,(H,12,15,17)(H3,11,13,14,16)

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Potential Energy
Epot(MMFF94)=-1.27586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.363 g/mol  logS: -3.54175  SlogP: 0.40912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00500038  Sterimol/B1: 2.37717  Sterimol/B2: 2.51226  Sterimol/B3: 3.40556
  Sterimol/B4: 4.90667  Sterimol/L: 17.2564 
 
 Surface and Volume Properties
  Accessible surface: 514.219  Positive charged surface: 295.554  Negative charged surface: 218.665  Volume: 244.125
  Hydrophobic surface: 238.452  Hydrophilic surface: 275.767
 
 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.