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NIH-ZINC00382683

 MMsINC code: MMs02521330
Type: Neutral
Formula: C15H25NO4S
SMILES:   S(=O)(=O)(NC(C(C)C)C(C)C)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C15H25NO4S/c1-10(2)15(11(3)4)16-21(17,18)12-7-8-13(19-5)14(9-12)20-6/h7-11,15-16H,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.434 g/mol  logS: -2.78512  SlogP: 2.6627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222046  Sterimol/B1: 4.06474  Sterimol/B2: 4.3067  Sterimol/B3: 5.04462
  Sterimol/B4: 5.92793  Sterimol/L: 14.7339 
 
 Surface and Volume Properties
  Accessible surface: 523.301  Positive charged surface: 367.418  Negative charged surface: 155.883  Volume: 305.75
  Hydrophobic surface: 378.486  Hydrophilic surface: 144.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.