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ASINEX-ZINC00878875

 MMsINC code: MMs00204930
Type: Neutral
Formula: C27H25N3O4S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)NCc1ncccc1)c1ccc(OC)cc1)c1ccccc1
InChI:   InChI=1/C27H25N3O4S/c1-34-25-16-14-24(15-17-25)30(35(32,33)26-8-3-2-4-9-26)20-21-10-12-22(13-11-21)27(31)29-19-23-7-5-6-18-28-23/h2-18H,19-20H2,1H3,(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 487.58 g/mol  logS: -5.74939  SlogP: 4.9485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10861  Sterimol/B1: 2.30301  Sterimol/B2: 3.32304  Sterimol/B3: 5.93639
  Sterimol/B4: 8.3025  Sterimol/L: 19.6933 
 
 Surface and Volume Properties
  Accessible surface: 743.208  Positive charged surface: 449.492  Negative charged surface: 293.715  Volume: 454
  Hydrophobic surface: 610.021  Hydrophilic surface: 133.187
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.