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ASINEX-ZINC00312557

 MMsINC code: MMs00116400
Type: Neutral
Formula: C12H19NO2S
SMILES:   S(=O)(=O)(N(C(C)C)C(C)C)c1ccccc1
InChI:   InChI=1/C12H19NO2S/c1-10(2)13(11(3)4)16(14,15)12-8-6-5-7-9-12/h5-11H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.5226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.355 g/mol  logS: -2.60728  SlogP: 2.4941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194586  Sterimol/B1: 2.35044  Sterimol/B2: 2.47538  Sterimol/B3: 5.34979
  Sterimol/B4: 6.17359  Sterimol/L: 11.6389 
 
 Surface and Volume Properties
  Accessible surface: 427.488  Positive charged surface: 245.932  Negative charged surface: 181.556  Volume: 240
  Hydrophobic surface: 312.936  Hydrophilic surface: 114.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.