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ENAMINE-ZINC03227283

 MMsINC code: MMs01316963
Type: Neutral
Formula: C11H7Cl2NO4S2
SMILES:   Clc1sc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(O)=O
InChI:   InChI=1/C11H7Cl2NO4S2/c12-9-5-8(10(13)19-9)20(17,18)14-7-3-1-6(2-4-7)11(15)16/h1-5,14H,(H,15,16)

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Potential Energy
Epot(MMFF94)=33.0997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.218 g/mol  logS: -4.76097  SlogP: 3.5539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21417  Sterimol/B1: 3.14897  Sterimol/B2: 3.22722  Sterimol/B3: 5.24404
  Sterimol/B4: 7.20429  Sterimol/L: 12.1716 
 
 Surface and Volume Properties
  Accessible surface: 487.178  Positive charged surface: 159.581  Negative charged surface: 327.598  Volume: 257.375
  Hydrophobic surface: 316.908  Hydrophilic surface: 170.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01316964
ENAMINE-ZINC03227283