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ENAMINE-ZINC03241671

 MMsINC code: MMs01325136
Type: Neutral
Formula: C27H26N2O4S
SMILES:   S(=O)(=O)(N(C)c1ccc(OCC)cc1)c1cc(C(=O)Nc2c3c(ccc2)cccc3)c(cc
1)C
InChI:   InChI=1/C27H26N2O4S/c1-4-33-22-15-13-21(14-16-22)29(3)34(31,32)23-17-12-19(2)25(18-23)27(30)28-26-11-7-9-20-8-5-6-10-24(20)26/h5-18H,4H2,1-3H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.581 g/mol  logS: -7.82168  SlogP: 5.62432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198986  Sterimol/B1: 1.969  Sterimol/B2: 2.52445  Sterimol/B3: 6.67679
  Sterimol/B4: 13.086  Sterimol/L: 15.1304 
 
 Surface and Volume Properties
  Accessible surface: 774.617  Positive charged surface: 449.56  Negative charged surface: 313.011  Volume: 448.75
  Hydrophobic surface: 675.643  Hydrophilic surface: 98.974
 
 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.