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ASINEX-ZINC00235478

 MMsINC code: MMs00095581
Type: Ionized
Formula: C16H9FNO3S2-
SMILES:   s1cccc1-c1csc(NC(=O)c2ccccc2F)c1C(=O)[O-]
InChI:   InChI=1/C16H10FNO3S2/c17-11-5-2-1-4-9(11)14(19)18-15-13(16(20)21)10(8-23-15)12-6-3-7-22-12/h1-8H,(H,18,19)(H,20,21)/p-1

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Potential Energy
Epot(MMFF94)=41.2062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.382 g/mol  logS: -5.89364  SlogP: 3.2315  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255266  Sterimol/B1: 2.50569  Sterimol/B2: 2.52218  Sterimol/B3: 3.71101
  Sterimol/B4: 6.21913  Sterimol/L: 16.9531 
 
 Surface and Volume Properties
  Accessible surface: 529.902  Positive charged surface: 212.945  Negative charged surface: 316.958  Volume: 284.75
  Hydrophobic surface: 431.9  Hydrophilic surface: 98.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00095580
ASINEX-ZINC00235478