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ASINEX-ZINC00816427

 MMsINC code: MMs00178944
Type: Neutral
Formula: C12H10N2O3S
SMILES:   S(=O)(=O)(N)c1c2c3c(ccc2)C(=O)N(c3cc1)C
InChI:   InChI=1/C12H10N2O3S/c1-14-9-5-6-10(18(13,16)17)7-3-2-4-8(11(7)9)12(14)15/h2-6H,1H3,(H2,13,16,17)

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Potential Energy
Epot(MMFF94)=40.1383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.289 g/mol  logS: -3.70787  SlogP: 1.0772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477166  Sterimol/B1: 2.81755  Sterimol/B2: 3.37179  Sterimol/B3: 3.4376
  Sterimol/B4: 6.29519  Sterimol/L: 12.2502 
 
 Surface and Volume Properties
  Accessible surface: 427.46  Positive charged surface: 235.78  Negative charged surface: 181.961  Volume: 216.875
  Hydrophobic surface: 258.821  Hydrophilic surface: 168.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00178945
ASINEX-ZINC00816427