logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


ASINEX-ZINC02462369

 MMsINC code: MMs00271899
Type: Neutral
Formula: C19H25NO4
SMILES:   O(C)c1cc(ccc1OC)CCNCc1cc(OC)cc(OC)c1
InChI:   InChI=1/C19H25NO4/c1-21-16-9-15(10-17(12-16)22-2)13-20-8-7-14-5-6-18(23-3)19(11-14)24-4/h5-6,9-12,20H,7-8,13H2,1-4H3

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=97.7234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.412 g/mol  logS: -3.15627  SlogP: 3.31967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218483  Sterimol/B1: 2.88884  Sterimol/B2: 3.07946  Sterimol/B3: 3.49467
  Sterimol/B4: 7.27801  Sterimol/L: 19.2846 
 
 Surface and Volume Properties
  Accessible surface: 656.638  Positive charged surface: 530.128  Negative charged surface: 126.51  Volume: 337.25
  Hydrophobic surface: 596.133  Hydrophilic surface: 60.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00271900
ASINEX-ZINC02462369