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


NCID-ZINC01669892

 MMsINC code: MMs02305996
Type: Neutral
Formula: C16H25NO2
SMILES:   O(C(=O)c1ccccc1)C(C(NCCC(C)C)C)C
InChI:   InChI=1/C16H25NO2/c1-12(2)10-11-17-13(3)14(4)19-16(18)15-8-6-5-7-9-15/h5-9,12-14,17H,10-11H2,1-4H3/t13-,14-/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)=50.8635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.381 g/mol  logS: -3.74739  SlogP: 3.2561  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0894295  Sterimol/B1: 2.74056  Sterimol/B2: 4.26241  Sterimol/B3: 4.88502
  Sterimol/B4: 5.46448  Sterimol/L: 16.7108 
 
 Surface and Volume Properties
  Accessible surface: 557.799  Positive charged surface: 367.091  Negative charged surface: 190.708  Volume: 290
  Hydrophobic surface: 448.537  Hydrophilic surface: 109.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02305997
NCID-ZINC01669892