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PUBCHEM-ZINC00614965

 MMsINC code: MMs02713669
Type: Neutral
Formula: C15H25NO3S
SMILES:   S(=O)(=O)(NC(CC(C)(C)C)(C)C)c1ccc(OC)cc1
InChI:   InChI=1/C15H25NO3S/c1-14(2,3)11-15(4,5)16-20(17,18)13-9-7-12(19-6)8-10-13/h7-10,16H,11H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.435 g/mol  logS: -4.0023  SlogP: 3.1883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12729  Sterimol/B1: 2.50329  Sterimol/B2: 3.1194  Sterimol/B3: 5.22388
  Sterimol/B4: 6.10693  Sterimol/L: 15.4611 
 
 Surface and Volume Properties
  Accessible surface: 512.142  Positive charged surface: 330.203  Negative charged surface: 181.939  Volume: 289.125
  Hydrophobic surface: 379.978  Hydrophilic surface: 132.164
 
 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.