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PUBCHEM-ZINC00622496

 MMsINC code: MMs02714520
Type: Neutral
Formula: C24H32N2O3S
SMILES:   S(=O)(=O)(N(Cc1cc(ccc1)C)CC(=O)NC1CCCCCC1)c1ccc(cc1)C
InChI:   InChI=1/C24H32N2O3S/c1-19-12-14-23(15-13-19)30(28,29)26(17-21-9-7-8-20(2)16-21)18-24(27)25-22-10-5-3-4-6-11-22/h7-9,12-16,22H,3-6,10-11,17-18H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.597 g/mol  logS: -6.17311  SlogP: 4.59974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090935  Sterimol/B1: 2.4404  Sterimol/B2: 3.60387  Sterimol/B3: 5.00727
  Sterimol/B4: 11.0045  Sterimol/L: 17.8108 
 
 Surface and Volume Properties
  Accessible surface: 716.131  Positive charged surface: 464.828  Negative charged surface: 251.303  Volume: 427.375
  Hydrophobic surface: 642.358  Hydrophilic surface: 73.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.