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ENAMINE-ZINC03506887

 MMsINC code: MMs01480261
Type: Neutral
Formula: C25H26N2O6S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)C)c1cc(ccc1OC)C(OCC(=O)NCc1ccccc1)=O
InChI:   InChI=1/C25H26N2O6S/c1-27(17-20-11-7-4-8-12-20)34(30,31)23-15-21(13-14-22(23)32-2)25(29)33-18-24(28)26-16-19-9-5-3-6-10-19/h3-15H,16-18H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.4202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.557 g/mol  logS: -5.43892  SlogP: 3.5219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0271086  Sterimol/B1: 3.39809  Sterimol/B2: 4.3952  Sterimol/B3: 5.07442
  Sterimol/B4: 7.32491  Sterimol/L: 23.6685 
 
 Surface and Volume Properties
  Accessible surface: 786.303  Positive charged surface: 489.581  Negative charged surface: 296.722  Volume: 446.875
  Hydrophobic surface: 641.887  Hydrophilic surface: 144.416
 
 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.