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


PUBCHEM-ZINC06424547

 MMsINC code: MMs03724195
Type: Neutral
Formula: C26H31NO2
SMILES:   O(CCN(C)C)c1ccc(cc1)C(C(CC)c1ccccc1)c1ccc(O)cc1
InChI:   InChI=1/C26H31NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,25-26,28H,4,18-19H2,1-3H3/t25-,26+/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)=126.37 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.539 g/mol  logS: -6.1354  SlogP: 5.6583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0833515  Sterimol/B1: 2.52217  Sterimol/B2: 2.64726  Sterimol/B3: 5.34219
  Sterimol/B4: 10.4216  Sterimol/L: 19.2312 
 
 Surface and Volume Properties
  Accessible surface: 711.926  Positive charged surface: 515.208  Negative charged surface: 196.718  Volume: 414.625
  Hydrophobic surface: 632.409  Hydrophilic surface: 79.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03724196
PUBCHEM-ZINC06424547