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ENAMINE-ZINC03359967

 MMsINC code: MMs01395303
Type: Neutral
Formula: C15H12ClF3N2O4S
SMILES:   Clc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(cc2C)C)cc1C(F)(F)F
InChI:   InChI=1/C15H12ClF3N2O4S/c1-8-5-9(2)14(21(22)23)7-13(8)20-26(24,25)10-3-4-12(16)11(6-10)15(17,18)19/h3-7,20H,1-2H3

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Potential Energy
Epot(MMFF94)=79.9619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.784 g/mol  logS: -5.94873  SlogP: 4.99614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276633  Sterimol/B1: 2.25216  Sterimol/B2: 3.07057  Sterimol/B3: 5.97646
  Sterimol/B4: 8.04967  Sterimol/L: 12.6067 
 
 Surface and Volume Properties
  Accessible surface: 541.622  Positive charged surface: 181.469  Negative charged surface: 360.153  Volume: 306.125
  Hydrophobic surface: 319.926  Hydrophilic surface: 221.696
 
 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.