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CHEMDIV-ZINC04143710

 MMsINC code: MMs00929222
Type: Ionized
Formula: C11H8NO3S2-
SMILES:   S1CC(=O)N(Cc2ccc(cc2)C(=O)[O-])C1=S
InChI:   InChI=1/C11H9NO3S2/c13-9-6-17-11(16)12(9)5-7-1-3-8(4-2-7)10(14)15/h1-4H,5-6H2,(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=20.4181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.321 g/mol  logS: -4.49214  SlogP: 0.6768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130144  Sterimol/B1: 3.45674  Sterimol/B2: 3.81592  Sterimol/B3: 3.9835
  Sterimol/B4: 5.08469  Sterimol/L: 12.8674 
 
 Surface and Volume Properties
  Accessible surface: 434.85  Positive charged surface: 177.905  Negative charged surface: 256.945  Volume: 223.75
  Hydrophobic surface: 193.457  Hydrophilic surface: 241.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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:


MMs00929221
CHEMDIV-ZINC04143710