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ASINEX-ZINC00286266

 MMsINC code: MMs00109014
Type: Neutral
Formula: C10H10N4OS
SMILES:   s1ccnc1NC(=O)c1cc(N)cc(N)c1
InChI:   InChI=1/C10H10N4OS/c11-7-3-6(4-8(12)5-7)9(15)14-10-13-1-2-16-10/h1-5H,11-12H2,(H,13,14,15)

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Potential Energy
Epot(MMFF94)=51.5015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.283 g/mol  logS: -2.268  SlogP: 1.5598  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.65623e-07  Sterimol/B1: 2.18395  Sterimol/B2: 2.18605  Sterimol/B3: 3.57917
  Sterimol/B4: 5.46294  Sterimol/L: 14.0818 
 
 Surface and Volume Properties
  Accessible surface: 437.342  Positive charged surface: 265.76  Negative charged surface: 171.582  Volume: 204.875
  Hydrophobic surface: 252.233  Hydrophilic surface: 185.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.