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ENAMINE-ZINC03283553

 MMsINC code: MMs01349332
Type: Neutral
Formula: C28H26N2O4S
SMILES:   S(=O)(=O)(N(C)c1ccc(OC)cc1)c1cc(ccc1)C(=O)Nc1ccccc1Cc1ccccc1
InChI:   InChI=1/C28H26N2O4S/c1-30(24-15-17-25(34-2)18-16-24)35(32,33)26-13-8-12-23(20-26)28(31)29-27-14-7-6-11-22(27)19-21-9-4-3-5-10-21/h3-18,20H,19H2,1-2H3,(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.592 g/mol  logS: -6.9456  SlogP: 5.36337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869413  Sterimol/B1: 3.40648  Sterimol/B2: 3.46082  Sterimol/B3: 5.97962
  Sterimol/B4: 7.49304  Sterimol/L: 19.3889 
 
 Surface and Volume Properties
  Accessible surface: 751.974  Positive charged surface: 439.382  Negative charged surface: 312.592  Volume: 456.75
  Hydrophobic surface: 658.64  Hydrophilic surface: 93.334
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.