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ENAMINE-ZINC03410490

MMsINC code: MMs01425394

Type: Tautomer
Formula: C23H24N2O3
SMILES:   O(c1ccccc1NC(=O)CN(Cc1ccccc1OC)C)c1ccccc1
InChI:   InChI=1/C23H24N2O3/c1-25(16-18-10-6-8-14-21(18)27-2)17-23(26)24-20-13-7-9-15-22(20)28-19-11-4-3-5-12-19/h3-15H,16-17H2,1-2H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=155.509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -5.08585  SlogP: 4.8244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699587  Sterimol/B1: 3.18233  Sterimol/B2: 4.00457  Sterimol/B3: 4.80175
  Sterimol/B4: 5.68627  Sterimol/L: 20.1829 
 
 Surface and Volume Properties
  Accessible surface: 677.462  Positive charged surface: 455.051  Negative charged surface: 222.411  Volume: 376
  Hydrophobic surface: 633.497  Hydrophilic surface: 43.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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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MMs01425393
ENAMINE-ZINC03410490