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CHEMDIV-ZINC00944734

 MMsINC code: MMs00859698
Type: Neutral
Formula: C15H12N4O3S2
SMILES:   s1ccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1
InChI:   InChI=1/C15H12N4O3S2/c20-14(11-5-7-16-8-6-11)18-12-1-3-13(4-2-12)24(21,22)19-15-17-9-10-23-15/h1-10H,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=56.9737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.418 g/mol  logS: -3.22994  SlogP: 2.5912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415174  Sterimol/B1: 2.87353  Sterimol/B2: 3.77759  Sterimol/B3: 4.02026
  Sterimol/B4: 6.40689  Sterimol/L: 16.6665 
 
 Surface and Volume Properties
  Accessible surface: 555.964  Positive charged surface: 315.842  Negative charged surface: 240.122  Volume: 298.25
  Hydrophobic surface: 391.492  Hydrophilic surface: 164.472
 
 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.