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PUBCHEM-ZINC01470537

 MMsINC code: MMs02810626
Type: Neutral
Formula: C10H6N2O2S3
SMILES:   S1C(Sc2sc3c(n2)cccc3)C(=O)NC1=O
InChI:   InChI=1/C10H6N2O2S3/c13-7-8(16-9(14)12-7)17-10-11-5-3-1-2-4-6(5)15-10/h1-4,8H,(H,12,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=14.7138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.368 g/mol  logS: -5.33042  SlogP: 2.6975  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0376517  Sterimol/B1: 3.1191  Sterimol/B2: 3.38187  Sterimol/B3: 3.49673
  Sterimol/B4: 4.19805  Sterimol/L: 14.1717 
 
 Surface and Volume Properties
  Accessible surface: 441.583  Positive charged surface: 181.226  Negative charged surface: 260.357  Volume: 218.25
  Hydrophobic surface: 207.439  Hydrophilic surface: 234.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.