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ENAMINE-ZINC06175606

 MMsINC code: MMs01659355
Type: Neutral
Formula: C20H29NO6
SMILES:   O(C)c1c(OC)cc(cc1OC)CC(OCC(=O)NC1CCCCC1C)=O
InChI:   InChI=1/C20H29NO6/c1-13-7-5-6-8-15(13)21-18(22)12-27-19(23)11-14-9-16(24-2)20(26-4)17(10-14)25-3/h9-10,13,15H,5-8,11-12H2,1-4H3,(H,21,22)/t13-,15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.7077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.453 g/mol  logS: -3.8247  SlogP: 2.49297  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0278637  Sterimol/B1: 2.33232  Sterimol/B2: 3.7315  Sterimol/B3: 4.5101
  Sterimol/B4: 8.05395  Sterimol/L: 21.0376 
 
 Surface and Volume Properties
  Accessible surface: 704.022  Positive charged surface: 575.754  Negative charged surface: 128.267  Volume: 374
  Hydrophobic surface: 587.721  Hydrophilic surface: 116.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.