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ASINEX-ZINC04957334

 MMsINC code: MMs00413278
Type: Neutral
Formula: C15H11ClF3NO4S
SMILES:   Clc1ccc(N(S(=O)(=O)c2ccccc2)CC(O)=O)cc1C(F)(F)F
InChI:   InChI=1/C15H11ClF3NO4S/c16-13-7-6-10(8-12(13)15(17,18)19)20(9-14(21)22)25(23,24)11-4-2-1-3-5-11/h1-8H,9H2,(H,21,22)

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Potential Energy
Epot(MMFF94)=80.3825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.769 g/mol  logS: -4.90898  SlogP: 3.9502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090484  Sterimol/B1: 2.50516  Sterimol/B2: 4.67552  Sterimol/B3: 5.08807
  Sterimol/B4: 6.99968  Sterimol/L: 14.0231 
 
 Surface and Volume Properties
  Accessible surface: 536.063  Positive charged surface: 187.961  Negative charged surface: 348.102  Volume: 294
  Hydrophobic surface: 304.078  Hydrophilic surface: 231.985
 
 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


MMs00413279
ASINEX-ZINC04957334