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ASINEX-ZINC02476749

 MMsINC code: MMs00272513
Type: Neutral
Formula: C19H25NO5
SMILES:   O(C)c1cc(OC)c(OC)cc1CNCc1cc(OC)c(OC)cc1
InChI:   InChI=1/C19H25NO5/c1-21-15-7-6-13(8-17(15)23-3)11-20-12-14-9-18(24-4)19(25-5)10-16(14)22-2/h6-10,20H,11-12H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.411 g/mol  logS: -3.14518  SlogP: 3.5522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1026  Sterimol/B1: 2.11713  Sterimol/B2: 4.41505  Sterimol/B3: 5.96523
  Sterimol/B4: 7.16104  Sterimol/L: 17.1238 
 
 Surface and Volume Properties
  Accessible surface: 663.602  Positive charged surface: 567.921  Negative charged surface: 95.6805  Volume: 346.875
  Hydrophobic surface: 602.671  Hydrophilic surface: 60.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00272514
ASINEX-ZINC02476749