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


PUBCHEM-ZINC03725794

 MMsINC code: MMs03058100
Type: Neutral
Formula: C23H32N2O2
SMILES:   O(CC)c1cc(ccc1OCC)C(N1CCNCC1)c1cc(cc(c1)C)C
InChI:   InChI=1/C23H32N2O2/c1-5-26-21-8-7-19(16-22(21)27-6-2)23(25-11-9-24-10-12-25)20-14-17(3)13-18(4)15-20/h7-8,13-16,23-24H,5-6,9-12H2,1-4H3/t23-/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)=119.172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.521 g/mol  logS: -4.64303  SlogP: 4.19094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.344726  Sterimol/B1: 3.09802  Sterimol/B2: 4.54533  Sterimol/B3: 7.52884
  Sterimol/B4: 7.883  Sterimol/L: 14.2553 
 
 Surface and Volume Properties
  Accessible surface: 701.199  Positive charged surface: 537.662  Negative charged surface: 163.538  Volume: 391.5
  Hydrophobic surface: 611.587  Hydrophilic surface: 89.612
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs03058101
PUBCHEM-ZINC03725794