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


PUBCHEM-ZINC03727166

 MMsINC code: MMs03059064
Type: Neutral
Formula: C23H24N2O
SMILES:   O(c1cc(ccc1)C(N1CCNCC1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H24N2O/c1-3-8-19(9-4-1)23(25-16-14-24-15-17-25)20-10-7-13-22(18-20)26-21-11-5-2-6-12-21/h1-13,18,23-24H,14-17H2/t23-/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)=119.33 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.458 g/mol  logS: -4.72272  SlogP: 4.569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0902363  Sterimol/B1: 2.44685  Sterimol/B2: 3.95098  Sterimol/B3: 4.1059
  Sterimol/B4: 9.73856  Sterimol/L: 16.6525 
 
 Surface and Volume Properties
  Accessible surface: 623.67  Positive charged surface: 420.147  Negative charged surface: 203.523  Volume: 355.625
  Hydrophobic surface: 591.357  Hydrophilic surface: 32.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03059065
PUBCHEM-ZINC03727166