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ENAMINE-ZINC04927747

 MMsINC code: MMs01565582
Type: Neutral
Formula: C20H26N2O4
SMILES:   O(C(=O)c1cc(NC(=O)C)ccc1)C(C(=O)NCCC=1CCCCC=1)C
InChI:   InChI=1/C20H26N2O4/c1-14(19(24)21-12-11-16-7-4-3-5-8-16)26-20(25)17-9-6-10-18(13-17)22-15(2)23/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(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)=68.3349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.438 g/mol  logS: -4.44319  SlogP: 3.197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0488741  Sterimol/B1: 1.9803  Sterimol/B2: 3.22784  Sterimol/B3: 6.1635
  Sterimol/B4: 6.76038  Sterimol/L: 21.7489 
 
 Surface and Volume Properties
  Accessible surface: 688.382  Positive charged surface: 453.983  Negative charged surface: 234.4  Volume: 353.875
  Hydrophobic surface: 529.736  Hydrophilic surface: 158.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.