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CHEMDIV-ZINC06810076

 MMsINC code: MMs01037725
Type: Neutral
Formula: C18H28N2O4S
SMILES:   S(=O)(=O)(N1CCC(N2CCCCC2)CC1)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C18H28N2O4S/c1-23-17-7-6-16(14-18(17)24-2)25(21,22)20-12-8-15(9-13-20)19-10-4-3-5-11-19/h6-7,14-15H,3-5,8-13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.3889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.498 g/mol  logS: -2.60362  SlogP: 2.3428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239182  Sterimol/B1: 2.37758  Sterimol/B2: 3.54399  Sterimol/B3: 6.49935
  Sterimol/B4: 8.72708  Sterimol/L: 14.4411 
 
 Surface and Volume Properties
  Accessible surface: 608.27  Positive charged surface: 476.228  Negative charged surface: 132.041  Volume: 349.625
  Hydrophobic surface: 533.18  Hydrophilic surface: 75.09
 
 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


MMs01037726
CHEMDIV-ZINC06810076