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ASINEX-ZINC00182069

 MMsINC code: MMs00086532
Type: Neutral
Formula: C11H15NO3S
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(OC)cc1
InChI:   InChI=1/C11H15NO3S/c1-15-10-4-6-11(7-5-10)16(13,14)12-8-2-3-9-12/h4-7H,2-3,8-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.5376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.311 g/mol  logS: -1.9012  SlogP: 1.4797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137684  Sterimol/B1: 2.8676  Sterimol/B2: 2.98206  Sterimol/B3: 4.91754
  Sterimol/B4: 5.26392  Sterimol/L: 13.528 
 
 Surface and Volume Properties
  Accessible surface: 443.375  Positive charged surface: 302.061  Negative charged surface: 141.314  Volume: 220.375
  Hydrophobic surface: 375.058  Hydrophilic surface: 68.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.