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ASINEX-ZINC00857073

 MMsINC code: MMs00195642
Type: Neutral
Formula: C23H25N3O4S
SMILES:   S(=O)(=O)(N(CCc1ccccc1)CC(=O)NCc1cccnc1)c1ccc(OC)cc1
InChI:   InChI=1/C23H25N3O4S/c1-30-21-9-11-22(12-10-21)31(28,29)26(15-13-19-6-3-2-4-7-19)18-23(27)25-17-20-8-5-14-24-16-20/h2-12,14,16H,13,15,17-18H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.1602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.536 g/mol  logS: -3.86052  SlogP: 2.90637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124392  Sterimol/B1: 2.2039  Sterimol/B2: 2.27845  Sterimol/B3: 6.99118
  Sterimol/B4: 12.1843  Sterimol/L: 17.8679 
 
 Surface and Volume Properties
  Accessible surface: 733.41  Positive charged surface: 478.382  Negative charged surface: 255.027  Volume: 415.75
  Hydrophobic surface: 621.145  Hydrophilic surface: 112.265
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.