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CHEMDIV-ZINC03635648

 MMsINC code: MMs00912624
Type: Neutral
Formula: C23H30N2O4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(=O)N1CCOCC1)c1cc(cc(C)c1C)C(C)(C)C
InChI:   InChI=1/C23H30N2O4S/c1-16-14-19(23(3,4)5)15-21(17(16)2)30(27,28)24-20-8-6-18(7-9-20)22(26)25-10-12-29-13-11-25/h6-9,14-15,24H,10-13H2,1-5H3

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Potential Energy
Epot(MMFF94)=143.226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.569 g/mol  logS: -6.03231  SlogP: 3.87414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268306  Sterimol/B1: 2.09684  Sterimol/B2: 4.91328  Sterimol/B3: 6.71851
  Sterimol/B4: 7.84017  Sterimol/L: 14.0402 
 
 Surface and Volume Properties
  Accessible surface: 660.856  Positive charged surface: 433.88  Negative charged surface: 226.976  Volume: 412.125
  Hydrophobic surface: 494.663  Hydrophilic surface: 166.193
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.