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PUBCHEM-ZINC02636670

 MMsINC code: MMs02908031
Type: Neutral
Formula: C24H26N4O3S2
SMILES:   s1cccc1S(=O)(=O)N1CCN(CC1)CC(=O)Nc1cc2c3c(n(c2cc1)CC)cccc3
InChI:   InChI=1/C24H26N4O3S2/c1-2-28-21-7-4-3-6-19(21)20-16-18(9-10-22(20)28)25-23(29)17-26-11-13-27(14-12-26)33(30,31)24-8-5-15-32-24/h3-10,15-16H,2,11-14,17H2,1H3,(H,25,29)

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Potential Energy
Epot(MMFF94)=120.943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.629 g/mol  logS: -5.66441  SlogP: 4.0873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396936  Sterimol/B1: 3.84891  Sterimol/B2: 3.97892  Sterimol/B3: 4.52855
  Sterimol/B4: 6.81615  Sterimol/L: 20.8011 
 
 Surface and Volume Properties
  Accessible surface: 755.877  Positive charged surface: 441.03  Negative charged surface: 303.913  Volume: 438.25
  Hydrophobic surface: 640.221  Hydrophilic surface: 115.656
 
 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: 0
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Ions/Tautomers related molecules


MMs02908032
PUBCHEM-ZINC02636670