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ENAMINE-ZINC03289185

 MMsINC code: MMs01352229
Type: Neutral
Formula: C24H26N4O4S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CCN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1
InChI:   InChI=1/C24H26N4O4S/c25-33(31,32)22-13-11-19(12-14-22)15-16-28(17-23(29)26-20-7-3-1-4-8-20)18-24(30)27-21-9-5-2-6-10-21/h1-14H,15-18H2,(H,26,29)(H,27,30)(H2,25,31,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.562 g/mol  logS: -5.53727  SlogP: 2.45587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603141  Sterimol/B1: 2.38445  Sterimol/B2: 3.30122  Sterimol/B3: 4.5925
  Sterimol/B4: 11.7911  Sterimol/L: 20.7232 
 
 Surface and Volume Properties
  Accessible surface: 775.414  Positive charged surface: 446.774  Negative charged surface: 328.64  Volume: 430.5
  Hydrophobic surface: 579.396  Hydrophilic surface: 196.018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01352230
ENAMINE-ZINC03289185