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ASINEX-ZINC06680084

 MMsINC code: MMs00443989
Type: Neutral
Formula: C9H14N2O3S2
SMILES:   s1c(C)c(S(=O)(=O)NC)cc1C(=O)NCC
InChI:   InChI=1/C9H14N2O3S2/c1-4-11-9(12)7-5-8(6(2)15-7)16(13,14)10-3/h5,10H,4H2,1-3H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=2.98218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.354 g/mol  logS: -1.81626  SlogP: 0.71432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724318  Sterimol/B1: 3.13558  Sterimol/B2: 4.14313  Sterimol/B3: 4.23683
  Sterimol/B4: 4.33458  Sterimol/L: 14.093 
 
 Surface and Volume Properties
  Accessible surface: 462.617  Positive charged surface: 275.218  Negative charged surface: 187.4  Volume: 223.75
  Hydrophobic surface: 312.803  Hydrophilic surface: 149.814
 
 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.