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


ANALYTICONDISCOVERY-ZINC04235920

 MMsINC code: MMs00031666
Type: Neutral
Formula: C27H24FN3O5
SMILES:   Fc1cc(ccc1)C(=O)N1CC2N(CC1)C(=O)c1cc(ccc1NC2=O)-c1ccc(OC)cc1
OC
InChI:   InChI=1/C27H24FN3O5/c1-35-19-7-8-20(24(14-19)36-2)16-6-9-22-21(13-16)27(34)31-11-10-30(15-23(31)25(32)29-22)26(33)17-4-3-5-18(28)12-17/h3-9,12-14,23H,10-11,15H2,1-2H3,(H,29,32)/t23-/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)=195.541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 489.503 g/mol  logS: -6.58139  SlogP: 3.4288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105543  Sterimol/B1: 2.0399  Sterimol/B2: 4.92593  Sterimol/B3: 5.43206
  Sterimol/B4: 8.66304  Sterimol/L: 18.7081 
 
 Surface and Volume Properties
  Accessible surface: 750.03  Positive charged surface: 488.266  Negative charged surface: 256.403  Volume: 440.375
  Hydrophobic surface: 617.641  Hydrophilic surface: 132.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.