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


ASINEX-ZINC04967553

 MMsINC code: MMs00416395
Type: Neutral
Formula: C20H29FN2O2
SMILES:   Fc1ccccc1C1(O)CCN(CC1)CC(=O)NC1CCCCC1C
InChI:   InChI=1/C20H29FN2O2/c1-15-6-2-5-9-18(15)22-19(24)14-23-12-10-20(25,11-13-23)16-7-3-4-8-17(16)21/h3-4,7-8,15,18,25H,2,5-6,9-14H2,1H3,(H,22,24)/t15-,18-/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)=70.4881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.462 g/mol  logS: -3.74663  SlogP: 3.1155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603241  Sterimol/B1: 2.0996  Sterimol/B2: 2.44468  Sterimol/B3: 5.41061
  Sterimol/B4: 6.64686  Sterimol/L: 18.4582 
 
 Surface and Volume Properties
  Accessible surface: 616.462  Positive charged surface: 446.236  Negative charged surface: 170.226  Volume: 349.125
  Hydrophobic surface: 540.817  Hydrophilic surface: 75.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00416396
ASINEX-ZINC04967553