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


CHEMDIV-ZINC03657260

 MMsINC code: MMs00915246
Type: Neutral
Formula: C24H23FN2O4
SMILES:   Fc1ccc(cc1)C1N(CCOC)C(=O)c2c(cccc2)C1C(=O)NCc1occc1
InChI:   InChI=1/C24H23FN2O4/c1-30-14-12-27-22(16-8-10-17(25)11-9-16)21(19-6-2-3-7-20(19)24(27)29)23(28)26-15-18-5-4-13-31-18/h2-11,13,21-22H,12,14-15H2,1H3,(H,26,28)/t21-,22-/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)=110.694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.456 g/mol  logS: -5.38101  SlogP: 4.0241  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205409  Sterimol/B1: 2.56005  Sterimol/B2: 4.35386  Sterimol/B3: 6.46285
  Sterimol/B4: 8.73859  Sterimol/L: 17.0306 
 
 Surface and Volume Properties
  Accessible surface: 661.8  Positive charged surface: 418.065  Negative charged surface: 243.735  Volume: 391.875
  Hydrophobic surface: 597.074  Hydrophilic surface: 64.726
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.