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


CHEMDIV-ZINC02327329

 MMsINC code: MMs00873891
Type: Neutral
Formula: C23H24FN5O2
SMILES:   Fc1ccc(cc1)Cn1c2c(nc1CN(Cc1ccccc1)C)N(C)C(=O)N(C)C2=O
InChI:   InChI=1/C23H24FN5O2/c1-26(13-16-7-5-4-6-8-16)15-19-25-21-20(22(30)28(3)23(31)27(21)2)29(19)14-17-9-11-18(24)12-10-17/h4-12H,13-15H2,1-3H3

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)=45.1587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.476 g/mol  logS: -4.22238  SlogP: 4.1435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163516  Sterimol/B1: 2.36959  Sterimol/B2: 2.37957  Sterimol/B3: 6.32519
  Sterimol/B4: 11.0736  Sterimol/L: 16.2 
 
 Surface and Volume Properties
  Accessible surface: 674.282  Positive charged surface: 452.765  Negative charged surface: 221.517  Volume: 396.125
  Hydrophobic surface: 578.319  Hydrophilic surface: 95.963
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00873892
CHEMDIV-ZINC02327329