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NCID-ZINC01572847

 MMsINC code: MMs02232461
Type: Neutral
Formula: C8H10N2O4S
SMILES:   S(=O)(=O)(N)c1ccc(N(O)C(=O)C)cc1
InChI:   InChI=1/C8H10N2O4S/c1-6(11)10(12)7-2-4-8(5-3-7)15(9,13)14/h2-5,12H,1H3,(H2,9,13,14)

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Potential Energy
Epot(MMFF94)=42.0211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.244 g/mol  logS: -1.62433  SlogP: 0.0761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676319  Sterimol/B1: 2.99649  Sterimol/B2: 3.25297  Sterimol/B3: 3.2609
  Sterimol/B4: 4.03176  Sterimol/L: 13.2445 
 
 Surface and Volume Properties
  Accessible surface: 405.766  Positive charged surface: 211.271  Negative charged surface: 194.495  Volume: 185.75
  Hydrophobic surface: 199.553  Hydrophilic surface: 206.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02232462
NCID-ZINC01572847