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


PUBCHEM-ZINC05675564

 MMsINC code: MMs03343879
Type: Neutral
Formula: C23H25NO
SMILES:   Oc1ccccc1C(NCCC(c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C23H25NO/c1-18(21-14-8-9-15-23(21)25)24-17-16-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,18,22,24-25H,16-17H2,1H3/t18-/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)=85.7862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.459 g/mol  logS: -4.76424  SlogP: 5.3605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110455  Sterimol/B1: 3.40197  Sterimol/B2: 4.33948  Sterimol/B3: 4.74831
  Sterimol/B4: 6.89435  Sterimol/L: 16.3108 
 
 Surface and Volume Properties
  Accessible surface: 630.539  Positive charged surface: 377.489  Negative charged surface: 253.05  Volume: 355.375
  Hydrophobic surface: 561.641  Hydrophilic surface: 68.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03343880
PUBCHEM-ZINC05675564