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PUBCHEM-ZINC02948078

 MMsINC code: MMs02964737
Type: Neutral
Formula: C23H24N2O4S
SMILES:   S=C1NC(=O)C(=Cc2cc(OCCOc3ccc(cc3)C(C)(C)C)ccc2)C(=O)N1
InChI:   InChI=1/C23H24N2O4S/c1-23(2,3)16-7-9-17(10-8-16)28-11-12-29-18-6-4-5-15(13-18)14-19-20(26)24-22(30)25-21(19)27/h4-10,13-14H,11-12H2,1-3H3,(H2,24,25,26,27,30)

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Potential Energy
Epot(MMFF94)=90.4927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.521 g/mol  logS: -7.97906  SlogP: 3.3562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327714  Sterimol/B1: 2.73874  Sterimol/B2: 4.80188  Sterimol/B3: 4.95724
  Sterimol/B4: 5.10423  Sterimol/L: 23.4908 
 
 Surface and Volume Properties
  Accessible surface: 721.888  Positive charged surface: 423.341  Negative charged surface: 298.547  Volume: 400.875
  Hydrophobic surface: 458.418  Hydrophilic surface: 263.47
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.