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ASINEX-ZINC00255803

 MMsINC code: MMs00100660
Type: Neutral
Formula: C11H9NO2S
SMILES:   s1cccc1C(=O)Nc1ccccc1O
InChI:   InChI=1/C11H9NO2S/c13-9-5-2-1-4-8(9)12-11(14)10-6-3-7-15-10/h1-7,13H,(H,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.1394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.264 g/mol  logS: -2.79959  SlogP: 2.706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187093  Sterimol/B1: 2.50324  Sterimol/B2: 2.604  Sterimol/B3: 2.70361
  Sterimol/B4: 5.67424  Sterimol/L: 13.6066 
 
 Surface and Volume Properties
  Accessible surface: 413.907  Positive charged surface: 200.674  Negative charged surface: 213.233  Volume: 196.875
  Hydrophobic surface: 332.388  Hydrophilic surface: 81.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.