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ASINEX-ZINC00403553

 MMsINC code: MMs00128264
Type: Neutral
Formula: C10H10N2O2S
SMILES:   S=C1NC(CO)C(=O)N1c1ccccc1
InChI:   InChI=1/C10H10N2O2S/c13-6-8-9(14)12(10(15)11-8)7-4-2-1-3-5-7/h1-5,8,13H,6H2,(H,11,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=60.8693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.268 g/mol  logS: -2.89077  SlogP: 0.2686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0758561  Sterimol/B1: 3.40292  Sterimol/B2: 3.48042  Sterimol/B3: 4.18264
  Sterimol/B4: 4.96807  Sterimol/L: 13.095 
 
 Surface and Volume Properties
  Accessible surface: 417.183  Positive charged surface: 231.323  Negative charged surface: 185.861  Volume: 197.125
  Hydrophobic surface: 236.603  Hydrophilic surface: 180.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.