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FDA-ZINC00897222

 MMsINC code: MMs01725345
Type: Neutral
Formula: C15H14F3N3O4S2
SMILES:   S(=O)(=O)(N)c1cc2S(=O)(=O)NC(Nc2cc1C(F)(F)F)Cc1ccccc1
InChI:   InChI=1/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.42 g/mol  logS: -4.16142  SlogP: 1.93687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077629  Sterimol/B1: 2.4754  Sterimol/B2: 3.19087  Sterimol/B3: 3.62665
  Sterimol/B4: 8.20549  Sterimol/L: 15.558 
 
 Surface and Volume Properties
  Accessible surface: 555.224  Positive charged surface: 246.74  Negative charged surface: 308.484  Volume: 309.75
  Hydrophobic surface: 252.523  Hydrophilic surface: 302.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01725346
FDA-ZINC00897222