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CHEMDIV-ZINC06800393

 MMsINC code: MMs01028909
Type: Neutral
Formula: C14H17N3O4S2
SMILES:   s1cccc1C1=NS(=O)(=O)N(C)C(=C1)C(=O)NCC1OCCC1
InChI:   InChI=1/C14H17N3O4S2/c1-17-12(14(18)15-9-10-4-2-6-21-10)8-11(16-23(17,19)20)13-5-3-7-22-13/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,15,18)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=33.4376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.439 g/mol  logS: -3.17499  SlogP: 0.9065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0456668  Sterimol/B1: 2.24001  Sterimol/B2: 2.24957  Sterimol/B3: 4.67956
  Sterimol/B4: 10.2581  Sterimol/L: 15.0196 
 
 Surface and Volume Properties
  Accessible surface: 580.552  Positive charged surface: 342.592  Negative charged surface: 237.96  Volume: 301.5
  Hydrophobic surface: 445.965  Hydrophilic surface: 134.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.