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


CHEMDIV-ZINC02724818

 MMsINC code: MMs00887120
Type: Neutral
Formula: C24H21FN2O4
SMILES:   Fc1cc2c(NC(=O)CN(C(=O)c3ccc(OC)cc3OC)C2c2ccccc2)cc1
InChI:   InChI=1/C24H21FN2O4/c1-30-17-9-10-18(21(13-17)31-2)24(29)27-14-22(28)26-20-11-8-16(25)12-19(20)23(27)15-6-4-3-5-7-15/h3-13,23H,14H2,1-2H3,(H,26,28)/t23-/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)=166.114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.44 g/mol  logS: -5.70749  SlogP: 4.1223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.277939  Sterimol/B1: 4.15288  Sterimol/B2: 4.26119  Sterimol/B3: 6.28967
  Sterimol/B4: 8.41462  Sterimol/L: 14.0814 
 
 Surface and Volume Properties
  Accessible surface: 634.194  Positive charged surface: 390.381  Negative charged surface: 243.812  Volume: 380
  Hydrophobic surface: 526.415  Hydrophilic surface: 107.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.