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ASINEX-ZINC02901267

 MMsINC code: MMs00280681
Type: Neutral
Formula: C19H25NO5
SMILES:   O(C)c1c(OC)c(OC)ccc1CNCc1cc(OC)cc(OC)c1
InChI:   InChI=1/C19H25NO5/c1-21-15-8-13(9-16(10-15)22-2)11-20-12-14-6-7-17(23-3)19(25-5)18(14)24-4/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)=112.46 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: 0.136738  Sterimol/B1: 2.87398  Sterimol/B2: 3.15179  Sterimol/B3: 5.66623
  Sterimol/B4: 7.37409  Sterimol/L: 16.8421 
 
 Surface and Volume Properties
  Accessible surface: 654.914  Positive charged surface: 549.167  Negative charged surface: 105.747  Volume: 346.875
  Hydrophobic surface: 597.355  Hydrophilic surface: 57.559
 
 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


MMs00280682
ASINEX-ZINC02901267