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


NCID-ZINC04822379

 MMsINC code: MMs02409590
Type: Neutral
Formula: C30H38ClN3O4
SMILES:   Clc1cc(N(C)C)ccc1C1N(CCCN1Cc1ccc(OC)cc1OC)Cc1ccc(OC)cc1OC
InChI:   InChI=1/C30H38ClN3O4/c1-32(2)23-10-13-26(27(31)16-23)30-33(19-21-8-11-24(35-3)17-28(21)37-5)14-7-15-34(30)20-22-9-12-25(36-4)18-29(22)38-6/h8-13,16-18,30H,7,14-15,19-20H2,1-6H3

Download   format file 
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)=181.543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 540.104 g/mol  logS: -5.78458  SlogP: 6.4754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171513  Sterimol/B1: 2.65322  Sterimol/B2: 4.38919  Sterimol/B3: 6.05016
  Sterimol/B4: 11.8574  Sterimol/L: 19.5553 
 
 Surface and Volume Properties
  Accessible surface: 834.23  Positive charged surface: 666.179  Negative charged surface: 168.052  Volume: 524.625
  Hydrophobic surface: 806.364  Hydrophilic surface: 27.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.