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


PEPTECH-ZINC02575651

 MMsINC code: MMs02616789
Type: Neutral
Formula: C26H22F3NO4
SMILES:   FC(F)(F)c1ccccc1CC(NC(OCC1c2c(-c3c1cccc3)cccc2)=O)CC(O)=O
InChI:   InChI=1/C26H22F3NO4/c27-26(28,29)23-12-6-1-7-16(23)13-17(14-24(31)32)30-25(33)34-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,30,33)(H,31,32)/t17-/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)=105.61 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.459 g/mol  logS: -6.85632  SlogP: 5.94137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157463  Sterimol/B1: 2.8875  Sterimol/B2: 3.58253  Sterimol/B3: 6.4059
  Sterimol/B4: 9.39228  Sterimol/L: 15.1838 
 
 Surface and Volume Properties
  Accessible surface: 718.523  Positive charged surface: 354.81  Negative charged surface: 352.971  Volume: 414.125
  Hydrophobic surface: 515.176  Hydrophilic surface: 203.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02616790
PEPTECH-ZINC02575651