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CHEMBLOCK-ZINC06668828

 MMsINC code: MMs00583115
Type: Ionized
Formula: C13H10NO4S2-
SMILES:   s1cc(S(=O)(=O)N2Cc3c(C2)cccc3)cc1C(=O)[O-]
InChI:   InChI=1/C13H11NO4S2/c15-13(16)12-5-11(8-19-12)20(17,18)14-6-9-3-1-2-4-10(9)7-14/h1-5,8H,6-7H2,(H,15,16)/p-1

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Potential Energy
Epot(MMFF94)=25.0968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.358 g/mol  logS: -3.22526  SlogP: 1.3489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173155  Sterimol/B1: 3.17408  Sterimol/B2: 3.97317  Sterimol/B3: 5.2589
  Sterimol/B4: 5.50637  Sterimol/L: 13.5784 
 
 Surface and Volume Properties
  Accessible surface: 477.566  Positive charged surface: 196.232  Negative charged surface: 281.334  Volume: 252.25
  Hydrophobic surface: 312.095  Hydrophilic surface: 165.471
 
 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:


MMs00583114
CHEMBLOCK-ZINC06668828