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


CHEMDIV-ZINC03657275

 MMsINC code: MMs00915265
Type: Neutral
Formula: C23H27FN2O4
SMILES:   Fc1ccc(cc1)C1N(CCOC)C(=O)c2c(cccc2)C1C(=O)NCCCOC
InChI:   InChI=1/C23H27FN2O4/c1-29-14-5-12-25-22(27)20-18-6-3-4-7-19(18)23(28)26(13-15-30-2)21(20)16-8-10-17(24)11-9-16/h3-4,6-11,20-21H,5,12-15H2,1-2H3,(H,25,27)/t20-,21+/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)=99.9323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.477 g/mol  logS: -4.20595  SlogP: 3.001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147693  Sterimol/B1: 4.39438  Sterimol/B2: 4.73425  Sterimol/B3: 5.70446
  Sterimol/B4: 7.10832  Sterimol/L: 18.5886 
 
 Surface and Volume Properties
  Accessible surface: 691.302  Positive charged surface: 512.496  Negative charged surface: 178.806  Volume: 397.375
  Hydrophobic surface: 631.22  Hydrophilic surface: 60.082
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.