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NCID-ZINC00020014

 MMsINC code: MMs02213032
Type: Neutral
Formula: C10H8N2O2S
SMILES:   S(C1=CNC(=O)NC1=O)c1ccccc1
InChI:   InChI=1/C10H8N2O2S/c13-9-8(6-11-10(14)12-9)15-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)

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Potential Energy
Epot(MMFF94)=17.2462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.252 g/mol  logS: -3.29434  SlogP: 1.4595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128537  Sterimol/B1: 3.14734  Sterimol/B2: 3.60971  Sterimol/B3: 3.61097
  Sterimol/B4: 4.71849  Sterimol/L: 12.0662 
 
 Surface and Volume Properties
  Accessible surface: 400.835  Positive charged surface: 202.273  Negative charged surface: 198.562  Volume: 190.625
  Hydrophobic surface: 205.564  Hydrophilic surface: 195.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.