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NCID-ZINC01683777

 MMsINC code: MMs02317338
Type: Ionized
Formula: C8H14ClN2O5S-
SMILES:   ClCCNC(=O)NC(CCS(=O)(=O)C)C(=O)[O-]
InChI:   InChI=1/C8H15ClN2O5S/c1-17(15,16)5-2-6(7(12)13)11-8(14)10-4-3-9/h6H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.85136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.728 g/mol  logS: -0.93884  SlogP: -1.9224  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0931587  Sterimol/B1: 2.13188  Sterimol/B2: 2.9681  Sterimol/B3: 3.88307
  Sterimol/B4: 8.67944  Sterimol/L: 12.9416 
 
 Surface and Volume Properties
  Accessible surface: 483.655  Positive charged surface: 239.09  Negative charged surface: 244.565  Volume: 229.625
  Hydrophobic surface: 204.833  Hydrophilic surface: 278.822
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  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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MMs02317337
NCID-ZINC01683777