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MAYBRIDGE-ZINC01035097

 MMsINC code: MMs02151170
Type: Neutral
Formula: C12H17ClN2O4S2
SMILES:   Clc1sc(S(=O)(=O)NC2CCN(CC2)C(OCC)=O)cc1
InChI:   InChI=1/C12H17ClN2O4S2/c1-2-19-12(16)15-7-5-9(6-8-15)14-21(17,18)11-4-3-10(13)20-11/h3-4,9,14H,2,5-8H2,1H3

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Potential Energy
Epot(MMFF94)=-0.193433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.863 g/mol  logS: -3.25641  SlogP: 2.3007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0791486  Sterimol/B1: 2.84676  Sterimol/B2: 4.21643  Sterimol/B3: 4.21831
  Sterimol/B4: 7.16696  Sterimol/L: 14.1707 
 
 Surface and Volume Properties
  Accessible surface: 556.115  Positive charged surface: 303.63  Negative charged surface: 252.485  Volume: 288.75
  Hydrophobic surface: 414.694  Hydrophilic surface: 141.421
 
 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: no related molecules available.