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ASINEX-ZINC00338073

 MMsINC code: MMs00120611
Type: Neutral
Formula: C15H15NO2S
SMILES:   s1cc(c2CCCCc12)C(=O)Nc1ccccc1O
InChI:   InChI=1/C15H15NO2S/c17-13-7-3-2-6-12(13)16-15(18)11-9-19-14-8-4-1-5-10(11)14/h2-3,6-7,9,17H,1,4-5,8H2,(H,16,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.1529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.356 g/mol  logS: -3.73548  SlogP: 3.58474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0346921  Sterimol/B1: 2.42425  Sterimol/B2: 2.53261  Sterimol/B3: 3.56878
  Sterimol/B4: 6.73059  Sterimol/L: 14.8604 
 
 Surface and Volume Properties
  Accessible surface: 485.925  Positive charged surface: 294.409  Negative charged surface: 191.517  Volume: 254.75
  Hydrophobic surface: 416.277  Hydrophilic surface: 69.648
 
 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.