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PUBCHEM-ZINC04656293

 MMsINC code: MMs03148009
Type: Neutral
Formula: C11H15NOS
SMILES:   S(=O)(N1CCCCC1)c1ccccc1
InChI:   InChI=1/C11H15NOS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2/t14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.313 g/mol  logS: -2.20207  SlogP: 2.1951  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136006  Sterimol/B1: 3.18128  Sterimol/B2: 3.29628  Sterimol/B3: 3.99075
  Sterimol/B4: 4.6185  Sterimol/L: 12.6987 
 
 Surface and Volume Properties
  Accessible surface: 404.674  Positive charged surface: 274.181  Negative charged surface: 130.493  Volume: 205.5
  Hydrophobic surface: 361.407  Hydrophilic surface: 43.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.