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


CHEMDIV-ZINC04672423

 MMsINC code: MMs00941183
Type: Neutral
Formula: C25H29FN2O2
SMILES:   Fc1ccc(cc1)C1N(Cc2ccccc2)C(=O)CN(C2CCCC(C)C2C)C1=O
InChI:   InChI=1/C25H29FN2O2/c1-17-7-6-10-22(18(17)2)27-16-23(29)28(15-19-8-4-3-5-9-19)24(25(27)30)20-11-13-21(26)14-12-20/h3-5,8-9,11-14,17-18,22,24H,6-7,10,15-16H2,1-2H3/t17-,18+,22+,24+/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)=133.54 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.517 g/mol  logS: -5.89145  SlogP: 4.9244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168803  Sterimol/B1: 3.73531  Sterimol/B2: 5.0369  Sterimol/B3: 5.45826
  Sterimol/B4: 7.72124  Sterimol/L: 15.3748 
 
 Surface and Volume Properties
  Accessible surface: 647.906  Positive charged surface: 402.356  Negative charged surface: 245.55  Volume: 403.125
  Hydrophobic surface: 568.621  Hydrophilic surface: 79.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.