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ENAMINE-ZINC05257316

 MMsINC code: MMs01602595
Type: Neutral
Formula: C7H4ClF3N2O4S
SMILES:   Clc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)C(F)(F)F
InChI:   InChI=1/C7H4ClF3N2O4S/c8-3-1-4(12)5(13(14)15)2-6(3)18(16,17)7(9,10)11/h1-2H,12H2

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Potential Energy
Epot(MMFF94)=103.46 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.632 g/mol  logS: -3.90992  SlogP: 2.5438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083658  Sterimol/B1: 2.83672  Sterimol/B2: 3.43805  Sterimol/B3: 3.64651
  Sterimol/B4: 6.17542  Sterimol/L: 11.4739 
 
 Surface and Volume Properties
  Accessible surface: 394.555  Positive charged surface: 95.6295  Negative charged surface: 298.925  Volume: 191.375
  Hydrophobic surface: 117.643  Hydrophilic surface: 276.912
 
 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.