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ENAMINE-ZINC03487340

 MMsINC code: MMs01469188
Type: Neutral
Formula: C26H28N2O5S
SMILES:   S(=O)(=O)(N(C)c1ccc(cc1)C)c1cc(ccc1)C(OCC(=O)NCCCc1ccccc1)=O
InChI:   InChI=1/C26H28N2O5S/c1-20-13-15-23(16-14-20)28(2)34(31,32)24-12-6-11-22(18-24)26(30)33-19-25(29)27-17-7-10-21-8-4-3-5-9-21/h3-6,8-9,11-16,18H,7,10,17,19H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.3457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.585 g/mol  logS: -6.18166  SlogP: 3.72589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275578  Sterimol/B1: 1.969  Sterimol/B2: 3.48441  Sterimol/B3: 4.12901
  Sterimol/B4: 11.1081  Sterimol/L: 23.1367 
 
 Surface and Volume Properties
  Accessible surface: 827.109  Positive charged surface: 508.643  Negative charged surface: 318.467  Volume: 457.625
  Hydrophobic surface: 686.886  Hydrophilic surface: 140.223
 
 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.