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


NCID-ZINC01729534

 MMsINC code: MMs02352640
Type: Neutral
Formula: C26H37NO
SMILES:   Oc1c(cc(cc1CN(CC)CC)C1CC(CC(C1)C)(C)C)-c1ccccc1
InChI:   InChI=1/C26H37NO/c1-6-27(7-2)18-23-14-21(22-13-19(3)16-26(4,5)17-22)15-24(25(23)28)20-11-9-8-10-12-20/h8-12,14-15,19,22,28H,6-7,13,16-18H2,1-5H3/t19-,22+/m0/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)=108.041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.588 g/mol  logS: -8.46882  SlogP: 7.0972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156142  Sterimol/B1: 3.99782  Sterimol/B2: 4.23166  Sterimol/B3: 5.28803
  Sterimol/B4: 10.4485  Sterimol/L: 16.2386 
 
 Surface and Volume Properties
  Accessible surface: 703.948  Positive charged surface: 491.984  Negative charged surface: 207.797  Volume: 420.75
  Hydrophobic surface: 579.457  Hydrophilic surface: 124.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02352641
NCID-ZINC01729534