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


IBS-ZINC02221828

 MMsINC code: MMs01807341
Type: Neutral
Formula: C25H25FN4O4
SMILES:   Fc1cc2c(NC(=O)C23NC(C2C3C(=O)N(C2=O)c2ccc(cc2)CCCC)CC(=O)N)c
c1
InChI:   InChI=1/C25H25FN4O4/c1-2-3-4-13-5-8-15(9-6-13)30-22(32)20-18(12-19(27)31)29-25(21(20)23(30)33)16-11-14(26)7-10-17(16)28-24(25)34/h5-11,18,20-21,29H,2-4,12H2,1H3,(H2,27,31)(H,28,34)/t18-,20-,21+,25-/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)=101.533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.497 g/mol  logS: -6.03974  SlogP: 2.28017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105706  Sterimol/B1: 3.83785  Sterimol/B2: 4.84663  Sterimol/B3: 5.48279
  Sterimol/B4: 5.65237  Sterimol/L: 18.857 
 
 Surface and Volume Properties
  Accessible surface: 702.031  Positive charged surface: 431.909  Negative charged surface: 270.122  Volume: 416.375
  Hydrophobic surface: 438.39  Hydrophilic surface: 263.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.