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ASINEX-ZINC00928877

 MMsINC code: MMs00223740
Type: Neutral
Formula: C23H28N2O5
SMILES:   O(CC)c1ccccc1C(=O)Nc1cc(OCC)c(NC(=O)C2CC2)cc1OCC
InChI:   InChI=1/C23H28N2O5/c1-4-28-19-10-8-7-9-16(19)23(27)25-18-14-20(29-5-2)17(13-21(18)30-6-3)24-22(26)15-11-12-15/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,26)(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.486 g/mol  logS: -4.99859  SlogP: 4.4835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373008  Sterimol/B1: 2.3662  Sterimol/B2: 4.0034  Sterimol/B3: 4.48949
  Sterimol/B4: 10.146  Sterimol/L: 18.4274 
 
 Surface and Volume Properties
  Accessible surface: 751.648  Positive charged surface: 531.312  Negative charged surface: 220.336  Volume: 405.5
  Hydrophobic surface: 577.316  Hydrophilic surface: 174.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.