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PUBCHEM-ZINC04797224

 MMsINC code: MMs03172847
Type: Neutral
Formula: C24H30N2O3S
SMILES:   s1c2c(cc1)C(N(CC2)C(=O)CN(C(=O)C1CCCC1)CCOC)c1ccccc1
InChI:   InChI=1/C24H30N2O3S/c1-29-15-14-25(24(28)19-9-5-6-10-19)17-22(27)26-13-11-21-20(12-16-30-21)23(26)18-7-3-2-4-8-18/h2-4,7-8,12,16,19,23H,5-6,9-11,13-15,17H2,1H3/t23-/m1/s1

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Potential Energy
Epot(MMFF94)=142.077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.581 g/mol  logS: -4.73198  SlogP: 3.98287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.28625  Sterimol/B1: 2.28527  Sterimol/B2: 5.50733  Sterimol/B3: 5.64963
  Sterimol/B4: 9.68182  Sterimol/L: 16.072 
 
 Surface and Volume Properties
  Accessible surface: 695.67  Positive charged surface: 500.555  Negative charged surface: 195.115  Volume: 417.75
  Hydrophobic surface: 673.659  Hydrophilic surface: 22.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.