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


PUBCHEM-ZINC02016703

 MMsINC code: MMs02852617
Type: Neutral
Formula: C17H25NO2
SMILES:   O(C(=O)C(N)c1ccccc1)C1CC(CC(C1)C)(C)C
InChI:   InChI=1/C17H25NO2/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11,18H2,1-3H3/t12-,14-,15+/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)=94.1329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.392 g/mol  logS: -4.47477  SlogP: 3.5399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24828  Sterimol/B1: 2.18587  Sterimol/B2: 2.81131  Sterimol/B3: 5.44028
  Sterimol/B4: 7.51835  Sterimol/L: 12.8048 
 
 Surface and Volume Properties
  Accessible surface: 509.601  Positive charged surface: 350.294  Negative charged surface: 159.307  Volume: 290.5
  Hydrophobic surface: 385.882  Hydrophilic surface: 123.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.