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


NCID-ZINC04887782

 MMsINC code: MMs02413074
Type: Neutral
Formula: C25H35NO2
SMILES:   O(CCN1CCCC1)c1ccc(cc1)C(C(CC)c1ccc(OC)cc1)CC
InChI:   InChI=1/C25H35NO2/c1-4-24(20-8-12-22(27-3)13-9-20)25(5-2)21-10-14-23(15-11-21)28-19-18-26-16-6-7-17-26/h8-15,24-25H,4-7,16-19H2,1-3H3/t24-,25-/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)=104.345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.56 g/mol  logS: -6.48809  SlogP: 5.8572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0848772  Sterimol/B1: 2.41068  Sterimol/B2: 4.83357  Sterimol/B3: 5.67768
  Sterimol/B4: 8.93912  Sterimol/L: 18.2242 
 
 Surface and Volume Properties
  Accessible surface: 712.403  Positive charged surface: 559.654  Negative charged surface: 152.749  Volume: 415.375
  Hydrophobic surface: 653.446  Hydrophilic surface: 58.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02413075
NCID-ZINC04887782