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


PUBCHEM-ZINC03630840

 MMsINC code: MMs03027363
Type: Neutral
Formula: C23H25NO
SMILES:   O(C1CC2N(C(C1)CC2)C)C1c2c(C=Cc3c1cccc3)cccc2
InChI:   InChI=1/C23H25NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-11,18-20,23H,12-15H2,1H3/t18-,19+,20-

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)=97.4983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.459 g/mol  logS: -4.87341  SlogP: 4.9971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190335  Sterimol/B1: 3.44026  Sterimol/B2: 4.39363  Sterimol/B3: 4.94932
  Sterimol/B4: 6.64722  Sterimol/L: 14.5774 
 
 Surface and Volume Properties
  Accessible surface: 577.494  Positive charged surface: 403.058  Negative charged surface: 174.436  Volume: 345.25
  Hydrophobic surface: 574.879  Hydrophilic surface: 2.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03027364
PUBCHEM-ZINC03630840