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PUBCHEM-ZINC06563929

 MMsINC code: MMs03797984
Type: Neutral
Formula: C17H30N2O4S
SMILES:   S(=O)(=O)(N(CCN(C(C)C)C(C)C)C)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C17H30N2O4S/c1-13(2)19(14(3)4)11-10-18(5)24(20,21)15-8-9-16(22-6)17(12-15)23-7/h8-9,12-14H,10-11H2,1-7H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.503 g/mol  logS: -2.60593  SlogP: 2.4431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241652  Sterimol/B1: 2.63045  Sterimol/B2: 5.64486  Sterimol/B3: 5.66328
  Sterimol/B4: 5.94221  Sterimol/L: 14.312 
 
 Surface and Volume Properties
  Accessible surface: 582.136  Positive charged surface: 425.759  Negative charged surface: 156.377  Volume: 351.625
  Hydrophobic surface: 451.001  Hydrophilic surface: 131.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs03797985
PUBCHEM-ZINC06563929