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CHEMDIV-ZINC03047780

 MMsINC code: MMs00907931
Type: Neutral
Formula: C24H28N2O4S
SMILES:   S(=O)(=O)(N1CCCCCC1)c1cc2c(oc(C(=O)Nc3ccc(cc3C)C)c2C)cc1
InChI:   InChI=1/C24H28N2O4S/c1-16-8-10-21(17(2)14-16)25-24(27)23-18(3)20-15-19(9-11-22(20)30-23)31(28,29)26-12-6-4-5-7-13-26/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=89.1285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.564 g/mol  logS: -6.61746  SlogP: 5.17506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260478  Sterimol/B1: 2.93849  Sterimol/B2: 3.26687  Sterimol/B3: 4.56176
  Sterimol/B4: 5.96561  Sterimol/L: 21.8781 
 
 Surface and Volume Properties
  Accessible surface: 729.08  Positive charged surface: 457.075  Negative charged surface: 266.179  Volume: 415.125
  Hydrophobic surface: 646.987  Hydrophilic surface: 82.093
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.