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PUBCHEM-ZINC05863570

 MMsINC code: MMs03422906
Type: Neutral
Formula: C22H29NO5
SMILES:   O(CC)c1ccc(cc1OC)CC(=O)NC(Cc1cc(OC)c(OC)cc1)C
InChI:   InChI=1/C22H29NO5/c1-6-28-19-10-8-17(13-21(19)27-5)14-22(24)23-15(2)11-16-7-9-18(25-3)20(12-16)26-4/h7-10,12-13,15H,6,11,14H2,1-5H3,(H,23,24)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.476 g/mol  logS: -4.27779  SlogP: 3.40094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114988  Sterimol/B1: 4.42642  Sterimol/B2: 5.07174  Sterimol/B3: 5.62688
  Sterimol/B4: 6.58663  Sterimol/L: 17.8733 
 
 Surface and Volume Properties
  Accessible surface: 725.263  Positive charged surface: 567.694  Negative charged surface: 157.568  Volume: 389.25
  Hydrophobic surface: 623.371  Hydrophilic surface: 101.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.