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ENAMINE-ZINC03468516

 MMsINC code: MMs01460524
Type: Neutral
Formula: C25H24N2O5S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1ccc(cc1)C(OCC(=O)N1CCc2c1cccc2)=O
InChI:   InChI=1/C25H24N2O5S/c1-2-27(21-9-4-3-5-10-21)33(30,31)22-14-12-20(13-15-22)25(29)32-18-24(28)26-17-16-19-8-6-7-11-23(19)26/h3-15H,2,16-18H2,1H3

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Potential Energy
Epot(MMFF94)=127.429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.542 g/mol  logS: -5.90555  SlogP: 3.64787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0361862  Sterimol/B1: 2.17116  Sterimol/B2: 2.41725  Sterimol/B3: 5.70359
  Sterimol/B4: 7.13905  Sterimol/L: 21.5473 
 
 Surface and Volume Properties
  Accessible surface: 726.519  Positive charged surface: 409.722  Negative charged surface: 316.797  Volume: 425.875
  Hydrophobic surface: 576.26  Hydrophilic surface: 150.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.