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ENAMINE-ZINC03324452

 MMsINC code: MMs01372185
Type: Ionized
Formula: C15H11Cl2FNO4S-
SMILES:   Clc1c(S(=O)(=O)NC(CC(=O)[O-])c2ccc(F)cc2)cccc1Cl
InChI:   InChI=1/C15H12Cl2FNO4S/c16-11-2-1-3-13(15(11)17)24(22,23)19-12(8-14(20)21)9-4-6-10(18)7-5-9/h1-7,12,19H,8H2,(H,20,21)/p-1/t12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.26667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.226 g/mol  logS: -4.89253  SlogP: 2.3876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167185  Sterimol/B1: 2.30511  Sterimol/B2: 3.85827  Sterimol/B3: 5.57202
  Sterimol/B4: 6.31838  Sterimol/L: 15.4861 
 
 Surface and Volume Properties
  Accessible surface: 541.856  Positive charged surface: 198.369  Negative charged surface: 343.486  Volume: 304.25
  Hydrophobic surface: 418.765  Hydrophilic surface: 123.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs01372184
ENAMINE-ZINC03324452