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NCID-ZINC01694488

 MMsINC code: MMs02325676
Type: Neutral
Formula: C10H14N2O4S2
SMILES:   S(=O)(=O)(NCC(C)=C)c1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C10H14N2O4S2/c1-8(2)7-12-18(15,16)10-5-3-9(4-6-10)17(11,13)14/h3-6,12H,1,7H2,2H3,(H2,11,13,14)

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Potential Energy
Epot(MMFF94)=-17.8324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.364 g/mol  logS: -1.96265  SlogP: 0.1884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0958527  Sterimol/B1: 3.05179  Sterimol/B2: 3.82161  Sterimol/B3: 4.02536
  Sterimol/B4: 5.13845  Sterimol/L: 15.1137 
 
 Surface and Volume Properties
  Accessible surface: 492.548  Positive charged surface: 247.676  Negative charged surface: 244.872  Volume: 240
  Hydrophobic surface: 241.136  Hydrophilic surface: 251.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02325677
NCID-ZINC01694488