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


PUBCHEM-ZINC03634784

 MMsINC code: MMs03029092
Type: Neutral
Formula: C20H25NO
SMILES:   O(C(c1ccccc1)c1ccccc1)C1CCN(C1)C(C)C
InChI:   InChI=1/C20H25NO/c1-16(2)21-14-13-19(15-21)22-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3/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)=72.4468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.426 g/mol  logS: -4.1719  SlogP: 4.3708  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15511  Sterimol/B1: 3.75259  Sterimol/B2: 4.30891  Sterimol/B3: 4.60196
  Sterimol/B4: 7.12454  Sterimol/L: 14.5479 
 
 Surface and Volume Properties
  Accessible surface: 580.485  Positive charged surface: 381.516  Negative charged surface: 198.969  Volume: 321
  Hydrophobic surface: 538.043  Hydrophilic surface: 42.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03029093
PUBCHEM-ZINC03634784