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


CHEMDIV-ZINC03039181

 MMsINC code: MMs00906610
Type: Neutral
Formula: C25H29FN2O2
SMILES:   Fc1ccc(cc1)CN1C(c2ccc(cc2)C)C(=O)N(CC1=O)C1CCCCCC1
InChI:   InChI=1/C25H29FN2O2/c1-18-8-12-20(13-9-18)24-25(30)27(22-6-4-2-3-5-7-22)17-23(29)28(24)16-19-10-14-21(26)15-11-19/h8-15,22,24H,2-7,16-17H2,1H3/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)=136.206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.517 g/mol  logS: -6.1636  SlogP: 5.13092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163789  Sterimol/B1: 1.98437  Sterimol/B2: 4.13209  Sterimol/B3: 4.58477
  Sterimol/B4: 13.2992  Sterimol/L: 13.5033 
 
 Surface and Volume Properties
  Accessible surface: 673.306  Positive charged surface: 423.316  Negative charged surface: 249.99  Volume: 403.625
  Hydrophobic surface: 623.005  Hydrophilic surface: 50.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.