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NCID-ZINC01726527

 MMsINC code: MMs02350239
Type: Neutral
Formula: C10H13ClN2O3S2
SMILES:   Clc1ccc(S(=O)(=O)NC(=O)NCCSC)cc1
InChI:   InChI=1/C10H13ClN2O3S2/c1-17-7-6-12-10(14)13-18(15,16)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3,(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=-25.1591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.81 g/mol  logS: -3.37745  SlogP: 1.6909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0768304  Sterimol/B1: 3.31761  Sterimol/B2: 4.06431  Sterimol/B3: 4.47183
  Sterimol/B4: 5.78718  Sterimol/L: 15.8002 
 
 Surface and Volume Properties
  Accessible surface: 519.282  Positive charged surface: 251.133  Negative charged surface: 268.149  Volume: 252.875
  Hydrophobic surface: 356.897  Hydrophilic surface: 162.385
 
 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.