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AURORAFEINCHEMIE-ZINC06665597

 MMsINC code: MMs00477932
Type: Neutral
Formula: C7H6Cl2N2O4S
SMILES:   ClC(Cl)(S(O)(=O)=O)C(=O)Nc1ncccc1
InChI:   InChI=1/C7H6Cl2N2O4S/c8-7(9,16(13,14)15)6(12)11-5-3-1-2-4-10-5/h1-4H,(H,10,11,12)(H,13,14,15)

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Potential Energy
Epot(MMFF94)=49.8792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.107 g/mol  logS: -2.30312  SlogP: 0.8935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338961  Sterimol/B1: 3.14482  Sterimol/B2: 3.4686  Sterimol/B3: 3.56108
  Sterimol/B4: 4.71635  Sterimol/L: 13.3299 
 
 Surface and Volume Properties
  Accessible surface: 423.697  Positive charged surface: 165.133  Negative charged surface: 258.564  Volume: 201.625
  Hydrophobic surface: 167.668  Hydrophilic surface: 256.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00477933
AURORAFEINCHEMIE-ZINC06665597