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NANOSIN-ZINC01958911

 MMsINC code: MMs02201006
Type: Neutral
Formula: C7H4N4O3S
SMILES:   s1ccnc1N=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C7H4N4O3S/c12-4-3(5(13)11-6(14)10-4)9-7-8-1-2-15-7/h1-2H,(H2,10,11,12,13,14)

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Potential Energy
Epot(MMFF94)=4.22156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.2 g/mol  logS: -2.24914  SlogP: -0.4184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0516725  Sterimol/B1: 2.30638  Sterimol/B2: 3.67479  Sterimol/B3: 4.33603
  Sterimol/B4: 4.48982  Sterimol/L: 11.9326 
 
 Surface and Volume Properties
  Accessible surface: 363.615  Positive charged surface: 182.758  Negative charged surface: 180.857  Volume: 165.75
  Hydrophobic surface: 134.891  Hydrophilic surface: 228.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.