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ENAMINE-ZINC06507905

 MMsINC code: MMs01664677
Type: Neutral
Formula: C24H23ClN2O3
SMILES:   Clc1ccccc1C(=O)Nc1ccc(OCC(=O)NCCCc2ccccc2)cc1
InChI:   InChI=1/C24H23ClN2O3/c25-22-11-5-4-10-21(22)24(29)27-19-12-14-20(15-13-19)30-17-23(28)26-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-15H,6,9,16-17H2,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.912 g/mol  logS: -6.34325  SlogP: 4.72007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0163274  Sterimol/B1: 3.02408  Sterimol/B2: 3.56067  Sterimol/B3: 3.90292
  Sterimol/B4: 7.52987  Sterimol/L: 24.569 
 
 Surface and Volume Properties
  Accessible surface: 753.266  Positive charged surface: 422.592  Negative charged surface: 330.674  Volume: 402.25
  Hydrophobic surface: 663.843  Hydrophilic surface: 89.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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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Ions/Tautomers related molecules: no related molecules available.