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PUBCHEM-ZINC05065335

 MMsINC code: MMs03196270
Type: Ionized
Formula: C12H10ClF3NO4S-
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(=O)[O-])cc1C(F)(F)F
InChI:   InChI=1/C12H11ClF3NO4S/c13-9-4-3-7(6-8(9)12(14,15)16)22(20,21)17-5-1-2-10(17)11(18)19/h3-4,6,10H,1-2,5H2,(H,18,19)/p-1/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.5713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.728 g/mol  logS: -3.89795  SlogP: 1.5733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188484  Sterimol/B1: 2.63968  Sterimol/B2: 3.90521  Sterimol/B3: 4.51535
  Sterimol/B4: 6.0112  Sterimol/L: 12.8243 
 
 Surface and Volume Properties
  Accessible surface: 485.611  Positive charged surface: 167.601  Negative charged surface: 318.01  Volume: 258.625
  Hydrophobic surface: 256.856  Hydrophilic surface: 228.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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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MMs03196269
PUBCHEM-ZINC05065335