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


FDA-ZINC03813087

 MMsINC code: MMs01725947
Type: Neutral
Formula: C25H35NO5
SMILES:   O(C)c1cc(ccc1OC)C(OCCCCN(C(Cc1ccc(OC)cc1)C)CC)=O
InChI:   InChI=1/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3/t19-/m1/s1

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)=124.945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.557 g/mol  logS: -4.70297  SlogP: 4.60247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0734439  Sterimol/B1: 2.53357  Sterimol/B2: 4.3799  Sterimol/B3: 7.40279
  Sterimol/B4: 7.8003  Sterimol/L: 21.2989 
 
 Surface and Volume Properties
  Accessible surface: 789.176  Positive charged surface: 598.743  Negative charged surface: 190.433  Volume: 442.75
  Hydrophobic surface: 683.449  Hydrophilic surface: 105.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01725948
FDA-ZINC03813087