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NCID-ZINC01615411

 MMsINC code: MMs02265079
Type: Ionized
Formula: C7H4ClN2O4S-
SMILES:   Clc1cc(S(=O)(=O)[O-])c2oc(nc2c1)N
InChI:   InChI=1/C7H5ClN2O4S/c8-3-1-4-6(14-7(9)10-4)5(2-3)15(11,12)13/h1-2H,(H2,9,10)(H,11,12,13)/p-1

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Potential Energy
Epot(MMFF94)=-7.25599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.638 g/mol  logS: -3.19339  SlogP: 0.9675  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0309272  Sterimol/B1: 2.69302  Sterimol/B2: 3.04946  Sterimol/B3: 3.05002
  Sterimol/B4: 6.80802  Sterimol/L: 10.8661 
 
 Surface and Volume Properties
  Accessible surface: 382.483  Positive charged surface: 138.831  Negative charged surface: 243.652  Volume: 172.625
  Hydrophobic surface: 147.826  Hydrophilic surface: 234.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 3  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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Parent related molecule:


MMs02265078
NCID-ZINC01615411