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ASINEX-ZINC03865865

 MMsINC code: MMs00290804
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-/m1/s1

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Potential Energy
Epot(MMFF94)=36.4248 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: 0.0692064  Sterimol/B1: 2.76102  Sterimol/B2: 3.68302  Sterimol/B3: 3.76682
  Sterimol/B4: 4.25293  Sterimol/L: 13.6972 
 
 Surface and Volume Properties
  Accessible surface: 450.874  Positive charged surface: 252.815  Negative charged surface: 198.059  Volume: 219.25
  Hydrophobic surface: 311.35  Hydrophilic surface: 139.524
 
 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


MMs00290805
ASINEX-ZINC03865865