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ENAMINE-ZINC05327818

 MMsINC code: MMs01607699
Type: Neutral
Formula: C20H24N2O5
SMILES:   O=C1N(CCC(OCC(=O)NCc2ccccc2)=O)C(=O)C2C1CCCC2
InChI:   InChI=1/C20H24N2O5/c23-17(21-12-14-6-2-1-3-7-14)13-27-18(24)10-11-22-19(25)15-8-4-5-9-16(15)20(22)26/h1-3,6-7,15-16H,4-5,8-13H2,(H,21,23)/t15-,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.7539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.421 g/mol  logS: -3.51961  SlogP: 1.6777  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0265281  Sterimol/B1: 3.28976  Sterimol/B2: 3.94585  Sterimol/B3: 4.01539
  Sterimol/B4: 4.03068  Sterimol/L: 22.5315 
 
 Surface and Volume Properties
  Accessible surface: 679.158  Positive charged surface: 441.382  Negative charged surface: 237.777  Volume: 354.25
  Hydrophobic surface: 512.825  Hydrophilic surface: 166.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.