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ENAMINE-ZINC03453221

 MMsINC code: MMs01452053
Type: Neutral
Formula: C14H11F3N2O4S
SMILES:   S(=O)(=O)(NCc1cc(ccc1)C(F)(F)F)c1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C14H11F3N2O4S/c15-14(16,17)11-5-3-4-10(8-11)9-18-24(22,23)13-7-2-1-6-12(13)19(20)21/h1-8,18H,9H2

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Potential Energy
Epot(MMFF94)=60.669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.312 g/mol  logS: -4.83754  SlogP: 3.67  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0930906  Sterimol/B1: 2.24915  Sterimol/B2: 4.288  Sterimol/B3: 4.6397
  Sterimol/B4: 5.72331  Sterimol/L: 15.1995 
 
 Surface and Volume Properties
  Accessible surface: 524.174  Positive charged surface: 187.293  Negative charged surface: 336.881  Volume: 273.125
  Hydrophobic surface: 290.072  Hydrophilic surface: 234.102
 
 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.