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


PUBCHEM-ZINC03688871

 MMsINC code: MMs03042796
Type: Neutral
Formula: C25H24F2N2O
SMILES:   Fc1cc(F)ccc1-c1[nH]c2c(cc(OCc3ccccc3)cc2)c1CCCCN
InChI:   InChI=1/C25H24F2N2O/c26-18-9-11-21(23(27)14-18)25-20(8-4-5-13-28)22-15-19(10-12-24(22)29-25)30-16-17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,29H,4-5,8,13,16,28H2

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)=72.4242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.476 g/mol  logS: -6.60813  SlogP: 6.23987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602674  Sterimol/B1: 3.56217  Sterimol/B2: 3.92459  Sterimol/B3: 6.14678
  Sterimol/B4: 6.64066  Sterimol/L: 19.8644 
 
 Surface and Volume Properties
  Accessible surface: 717.805  Positive charged surface: 437.027  Negative charged surface: 276.215  Volume: 396.125
  Hydrophobic surface: 619.002  Hydrophilic surface: 98.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03042797
PUBCHEM-ZINC03688871