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PUBCHEM-ZINC00339387

 MMsINC code: MMs02658819
Type: Neutral
Formula: C11H12N4O3S
SMILES:   s1cccc1C(=O)NC=1C(=O)N(C)C(=O)N(C)C=1N
InChI:   InChI=1/C11H12N4O3S/c1-14-8(12)7(10(17)15(2)11(14)18)13-9(16)6-4-3-5-19-6/h3-5H,12H2,1-2H3,(H,13,16)

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Potential Energy
Epot(MMFF94)=41.7945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.308 g/mol  logS: -2.05988  SlogP: 0.1295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433519  Sterimol/B1: 2.38812  Sterimol/B2: 2.69514  Sterimol/B3: 3.72712
  Sterimol/B4: 7.01475  Sterimol/L: 13.9894 
 
 Surface and Volume Properties
  Accessible surface: 469.247  Positive charged surface: 289.824  Negative charged surface: 179.423  Volume: 236.875
  Hydrophobic surface: 318.391  Hydrophilic surface: 150.856
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.