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ASINEX-ZINC00183516

 MMsINC code: MMs00087057
Type: Neutral
Formula: C14H20N2O3S
SMILES:   S(=O)(=O)(N1CCC(CC1)C)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C14H20N2O3S/c1-11-7-9-16(10-8-11)20(18,19)14-5-3-13(4-6-14)15-12(2)17/h3-6,11H,7-10H2,1-2H3,(H,15,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.3498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.391 g/mol  logS: -2.77726  SlogP: 2.0656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598507  Sterimol/B1: 2.46723  Sterimol/B2: 3.47184  Sterimol/B3: 4.31918
  Sterimol/B4: 5.1723  Sterimol/L: 17.0286 
 
 Surface and Volume Properties
  Accessible surface: 522.979  Positive charged surface: 335.182  Negative charged surface: 187.797  Volume: 275.875
  Hydrophobic surface: 396.916  Hydrophilic surface: 126.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.