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ENAMINE-ZINC06623194

 MMsINC code: MMs01686839
Type: Neutral
Formula: C13H8ClF3N2O4S
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-]
InChI:   InChI=1/C13H8ClF3N2O4S/c14-10-6-5-8(7-12(10)19(20)21)24(22,23)18-11-4-2-1-3-9(11)13(15,16)17/h1-7,18H

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Potential Energy
Epot(MMFF94)=73.7115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.73 g/mol  logS: -5.62779  SlogP: 4.3793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.294265  Sterimol/B1: 2.77705  Sterimol/B2: 3.70215  Sterimol/B3: 5.18874
  Sterimol/B4: 6.76822  Sterimol/L: 11.6511 
 
 Surface and Volume Properties
  Accessible surface: 491.434  Positive charged surface: 144.742  Negative charged surface: 346.691  Volume: 269.625
  Hydrophobic surface: 268.824  Hydrophilic surface: 222.61
 
 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.