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IBS-ZINC02404754

 MMsINC code: MMs01853104
Type: Neutral
Formula: C10H10ClNO7S2
SMILES:   ClC1CS(=O)(=O)CC1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C10H10ClNO7S2/c11-9-5-20(15,16)6-10(9)19-21(17,18)8-3-1-2-7(4-8)12(13)14/h1-4,9-10H,5-6H2/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=63.9473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.775 g/mol  logS: -3.59565  SlogP: 1.1244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190713  Sterimol/B1: 3.08622  Sterimol/B2: 3.81449  Sterimol/B3: 5.65722
  Sterimol/B4: 5.87247  Sterimol/L: 12.4651 
 
 Surface and Volume Properties
  Accessible surface: 484.756  Positive charged surface: 159.571  Negative charged surface: 325.185  Volume: 251.625
  Hydrophobic surface: 214.441  Hydrophilic surface: 270.315
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.