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ASINEX-ZINC01426309

 MMsINC code: MMs00254245
Type: Neutral
Formula: C11H10FNO2S2
SMILES:   s1cccc1S(=O)(=O)Nc1cccc(F)c1C
InChI:   InChI=1/C11H10FNO2S2/c1-8-9(12)4-2-5-10(8)13-17(14,15)11-6-3-7-16-11/h2-7,13H,1H3

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Potential Energy
Epot(MMFF94)=42.3563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.336 g/mol  logS: -3.46718  SlogP: 2.99642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.320583  Sterimol/B1: 2.13629  Sterimol/B2: 2.65735  Sterimol/B3: 5.42449
  Sterimol/B4: 6.52405  Sterimol/L: 10.7761 
 
 Surface and Volume Properties
  Accessible surface: 428.555  Positive charged surface: 189.796  Negative charged surface: 238.76  Volume: 221.875
  Hydrophobic surface: 352.93  Hydrophilic surface: 75.625
 
 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.