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


PUBCHEM-ZINC04673434

 MMsINC code: MMs03151943
Type: Neutral
Formula: C25H26N2O
SMILES:   O=C(NC(c1ccccc1)c1ccccc1)C(N1CCCC1)c1ccccc1
InChI:   InChI=1/C25H26N2O/c28-25(24(27-18-10-11-19-27)22-16-8-3-9-17-22)26-23(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-9,12-17,23-24H,10-11,18-19H2,(H,26,28)/t24-/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)=103.597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.496 g/mol  logS: -5.51708  SlogP: 4.9203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144665  Sterimol/B1: 2.49038  Sterimol/B2: 4.04203  Sterimol/B3: 4.11169
  Sterimol/B4: 10.4844  Sterimol/L: 14.0445 
 
 Surface and Volume Properties
  Accessible surface: 657.202  Positive charged surface: 415.396  Negative charged surface: 241.806  Volume: 389.5
  Hydrophobic surface: 640.729  Hydrophilic surface: 16.473
 
 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


MMs03151944
PUBCHEM-ZINC04673434