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ENAMINE-ZINC06547522

 MMsINC code: MMs01670311
Type: Neutral
Formula: C14H10ClF3N2O4S
SMILES:   Clc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H10ClF3N2O4S/c15-12-5-4-11(20(21)22)7-13(12)25(23,24)19-8-9-2-1-3-10(6-9)14(16,17)18/h1-7,19H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.7305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.757 g/mol  logS: -5.57183  SlogP: 4.3234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.086918  Sterimol/B1: 2.46927  Sterimol/B2: 3.28588  Sterimol/B3: 5.14153
  Sterimol/B4: 6.55675  Sterimol/L: 16.8752 
 
 Surface and Volume Properties
  Accessible surface: 547.899  Positive charged surface: 159.549  Negative charged surface: 388.349  Volume: 287
  Hydrophobic surface: 284.063  Hydrophilic surface: 263.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.