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


PUBCHEM-ZINC02033355

 MMsINC code: MMs02859896
Type: Neutral
Formula: C23H29F2N3
SMILES:   Fc1ccc(cc1)C1CCCN(c2c1ccc(F)c2)CCN1CCN(CC1)C
InChI:   InChI=1/C23H29F2N3/c1-26-11-13-27(14-12-26)15-16-28-10-2-3-21(18-4-6-19(24)7-5-18)22-9-8-20(25)17-23(22)28/h4-9,17,21H,2-3,10-16H2,1H3/t21-/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)=223.543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.502 g/mol  logS: -4.07674  SlogP: 3.9443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163986  Sterimol/B1: 4.19578  Sterimol/B2: 4.50115  Sterimol/B3: 5.50637
  Sterimol/B4: 7.21063  Sterimol/L: 15.8918 
 
 Surface and Volume Properties
  Accessible surface: 641.813  Positive charged surface: 457.152  Negative charged surface: 184.661  Volume: 379.25
  Hydrophobic surface: 627.066  Hydrophilic surface: 14.747
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02859897
PUBCHEM-ZINC02033355