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ENAMINE-ZINC02644122

 MMsINC code: MMs01270867
Type: Neutral
Formula: C20H22N2O4
SMILES:   O1c2cc(ccc2OC1)C(=O)NCC(=O)NC(CCc1ccccc1)C
InChI:   InChI=1/C20H22N2O4/c1-14(7-8-15-5-3-2-4-6-15)22-19(23)12-21-20(24)16-9-10-17-18(11-16)26-13-25-17/h2-6,9-11,14H,7-8,12-13H2,1H3,(H,21,24)(H,22,23)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.5523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.406 g/mol  logS: -4.01703  SlogP: 2.28257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412196  Sterimol/B1: 2.17525  Sterimol/B2: 2.63972  Sterimol/B3: 4.67342
  Sterimol/B4: 7.49778  Sterimol/L: 21.7206 
 
 Surface and Volume Properties
  Accessible surface: 649.911  Positive charged surface: 411.701  Negative charged surface: 238.209  Volume: 343.625
  Hydrophobic surface: 488.13  Hydrophilic surface: 161.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.