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


IBS-ZINC04994250

 MMsINC code: MMs01910648
Type: Tautomer
Formula: C23H25FN2O4
SMILES:   Fc1ccccc1C1N(CCCN(C)C)C(=O)C(=O)C1C(=O)c1cc(OC)ccc1
InChI:   InChI=1/C23H25FN2O4/c1-25(2)12-7-13-26-20(17-10-4-5-11-18(17)24)19(22(28)23(26)29)21(27)15-8-6-9-16(14-15)30-3/h4-6,8-11,14,19-20H,7,12-13H2,1-3H3/t19-,20-/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)=97.9343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.461 g/mol  logS: -4.20596  SlogP: 2.833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0962784  Sterimol/B1: 3.3504  Sterimol/B2: 3.6172  Sterimol/B3: 5.19111
  Sterimol/B4: 7.13614  Sterimol/L: 19.0833 
 
 Surface and Volume Properties
  Accessible surface: 665.071  Positive charged surface: 468.274  Negative charged surface: 196.798  Volume: 391.625
  Hydrophobic surface: 552.951  Hydrophilic surface: 112.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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:  
   
Parent related molecule:


MMs01910646
IBS-ZINC04994250