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


PUBCHEM-ZINC03651159

 MMsINC code: MMs03034070
Type: Neutral
Formula: C25H31FN2O2
SMILES:   FCC(=O)N(CC)c1c2CC(N3CCC(CC3)c3ccccc3)C(O)Cc2ccc1
InChI:   InChI=1/C25H31FN2O2/c1-2-28(25(30)17-26)22-10-6-9-20-15-24(29)23(16-21(20)22)27-13-11-19(12-14-27)18-7-4-3-5-8-18/h3-10,19,23-24,29H,2,11-17H2,1H3/t23-,24-/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)=131.746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.533 g/mol  logS: -4.30244  SlogP: 3.71664  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.076959  Sterimol/B1: 2.49348  Sterimol/B2: 2.79569  Sterimol/B3: 5.52121
  Sterimol/B4: 8.85959  Sterimol/L: 18.0158 
 
 Surface and Volume Properties
  Accessible surface: 683.889  Positive charged surface: 440.13  Negative charged surface: 243.759  Volume: 407.25
  Hydrophobic surface: 542.051  Hydrophilic surface: 141.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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:  
   

Ions/Tautomers related molecules


MMs03034071
PUBCHEM-ZINC03651159