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ASINEX-ZINC03865866

 MMsINC code: MMs00290806
Type: Neutral
Formula: C11H15NO3S
SMILES:   S1(=O)(=O)CC(NCc2ccccc2)C(O)C1
InChI:   InChI=1/C11H15NO3S/c13-11-8-16(14,15)7-10(11)12-6-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=38.1415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.311 g/mol  logS: -1.18285  SlogP: 0.2005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929838  Sterimol/B1: 3.14543  Sterimol/B2: 3.54433  Sterimol/B3: 3.66181
  Sterimol/B4: 3.85152  Sterimol/L: 13.6509 
 
 Surface and Volume Properties
  Accessible surface: 448.491  Positive charged surface: 254.13  Negative charged surface: 194.361  Volume: 218.5
  Hydrophobic surface: 315.099  Hydrophilic surface: 133.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00290807
ASINEX-ZINC03865866