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CHEMSTAR-ZINC00143201

 MMsINC code: MMs01073207
Type: Neutral
Formula: C14H14N4OS
SMILES:   S=C(Nc1ccccc1)NNC(=O)Nc1ccccc1
InChI:   InChI=1/C14H14N4OS/c19-13(15-11-7-3-1-4-8-11)17-18-14(20)16-12-9-5-2-6-10-12/h1-10H,(H2,15,17,19)(H2,16,18,20)

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Potential Energy
Epot(MMFF94)=96.5478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.359 g/mol  logS: -4.41283  SlogP: 2.7097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0292633  Sterimol/B1: 2.93215  Sterimol/B2: 3.15684  Sterimol/B3: 3.55189
  Sterimol/B4: 4.73849  Sterimol/L: 18.2066 
 
 Surface and Volume Properties
  Accessible surface: 528.82  Positive charged surface: 269.075  Negative charged surface: 259.745  Volume: 264.625
  Hydrophobic surface: 372.528  Hydrophilic surface: 156.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.