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ASINEX-ZINC00262655

 MMsINC code: MMs00102237
Type: Ionized
Formula: C8H5N2O2S-
SMILES:   s1c2cc(ccc2nc1N)C(=O)[O-]
InChI:   InChI=1/C8H6N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)/p-1

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Potential Energy
Epot(MMFF94)=14.603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.206 g/mol  logS: -2.62246  SlogP: 0.242  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.6932e-08  Sterimol/B1: 2.18477  Sterimol/B2: 2.18523  Sterimol/B3: 2.97172
  Sterimol/B4: 4.99149  Sterimol/L: 12.1634 
 
 Surface and Volume Properties
  Accessible surface: 350.727  Positive charged surface: 160.612  Negative charged surface: 190.114  Volume: 157.625
  Hydrophobic surface: 155.976  Hydrophilic surface: 194.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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:


MMs00102236
ASINEX-ZINC00262655