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ENAMINE-ZINC06590761

 MMsINC code: MMs01681997
Type: Neutral
Formula: C14H9ClF3N3O2S
SMILES:   Clc1ccc(S(=O)(=O)Nc2cc3[nH]ncc3cc2)cc1C(F)(F)F
InChI:   InChI=1/C14H9ClF3N3O2S/c15-12-4-3-10(6-11(12)14(16,17)18)24(22,23)21-9-2-1-8-7-19-20-13(8)5-9/h1-7,21H,(H,19,20)

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Potential Energy
Epot(MMFF94)=58.2692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.758 g/mol  logS: -5.12028  SlogP: 4.3474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.246839  Sterimol/B1: 2.74862  Sterimol/B2: 4.50526  Sterimol/B3: 5.59523
  Sterimol/B4: 5.85837  Sterimol/L: 12.6503 
 
 Surface and Volume Properties
  Accessible surface: 514.405  Positive charged surface: 206.4  Negative charged surface: 303.286  Volume: 277.25
  Hydrophobic surface: 283.732  Hydrophilic surface: 230.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.