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ENAMINE-ZINC03403636

 MMsINC code: MMs01421343
Type: Neutral
Formula: C19H27NO6
SMILES:   O(C)c1c(OC)c(OC)ccc1C(OCC(=O)N1CC(CC(C1)C)C)=O
InChI:   InChI=1/C19H27NO6/c1-12-8-13(2)10-20(9-12)16(21)11-26-19(22)14-6-7-15(23-3)18(25-5)17(14)24-4/h6-7,12-13H,8-11H2,1-5H3/t12-,13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.55 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.426 g/mol  logS: -3.14202  SlogP: 2.3737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455616  Sterimol/B1: 3.2847  Sterimol/B2: 3.28483  Sterimol/B3: 3.90256
  Sterimol/B4: 7.06518  Sterimol/L: 17.5679 
 
 Surface and Volume Properties
  Accessible surface: 651.963  Positive charged surface: 525.218  Negative charged surface: 126.746  Volume: 355
  Hydrophobic surface: 540.849  Hydrophilic surface: 111.114
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.