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


CHEMDIV-ZINC03044634

 MMsINC code: MMs00907338
Type: Neutral
Formula: C23H25FN2O2
SMILES:   Fc1ccc(cc1)CN1C(c2c(cccc2)C1=O)C(=O)NC1CCC(CC1)C
InChI:   InChI=1/C23H25FN2O2/c1-15-6-12-18(13-7-15)25-22(27)21-19-4-2-3-5-20(19)23(28)26(21)14-16-8-10-17(24)11-9-16/h2-5,8-11,15,18,21H,6-7,12-14H2,1H3,(H,25,27)/t15-,18+,21-/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)=79.616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.463 g/mol  logS: -5.76923  SlogP: 4.5796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131274  Sterimol/B1: 2.35222  Sterimol/B2: 4.80278  Sterimol/B3: 5.57811
  Sterimol/B4: 7.45567  Sterimol/L: 15.8319 
 
 Surface and Volume Properties
  Accessible surface: 626.04  Positive charged surface: 380.885  Negative charged surface: 245.155  Volume: 369.5
  Hydrophobic surface: 548.823  Hydrophilic surface: 77.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.