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


CHEMDIV-ZINC06785846

 MMsINC code: MMs01023504
Type: Neutral
Formula: C21H27N3O4
SMILES:   O(C)c1c(OC)cc(NC(=O)NCCN2CCCc3c2cccc3)cc1OC
InChI:   InChI=1/C21H27N3O4/c1-26-18-13-16(14-19(27-2)20(18)28-3)23-21(25)22-10-12-24-11-6-8-15-7-4-5-9-17(15)24/h4-5,7,9,13-14H,6,8,10-12H2,1-3H3,(H2,22,23,25)

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)=148.435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.464 g/mol  logS: -3.68672  SlogP: 3.28667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140426  Sterimol/B1: 2.51409  Sterimol/B2: 2.73402  Sterimol/B3: 3.25277
  Sterimol/B4: 8.89537  Sterimol/L: 20.3467 
 
 Surface and Volume Properties
  Accessible surface: 690.555  Positive charged surface: 548.922  Negative charged surface: 141.633  Volume: 374.875
  Hydrophobic surface: 598.04  Hydrophilic surface: 92.515
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.