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


CHEMBRIDGE-ZINC04702086

 MMsINC code: MMs00778370
Type: Neutral
Formula: C15H23NO
SMILES:   O=C(NC(C(C)C)C(C)C)c1ccc(cc1)C
InChI:   InChI=1/C15H23NO/c1-10(2)14(11(3)4)16-15(17)13-8-6-12(5)7-9-13/h6-11,14H,1-5H3,(H,16,17)

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)=54.5939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.355 g/mol  logS: -3.46643  SlogP: 3.40542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11075  Sterimol/B1: 3.46468  Sterimol/B2: 3.87407  Sterimol/B3: 4.27432
  Sterimol/B4: 5.38734  Sterimol/L: 14.333 
 
 Surface and Volume Properties
  Accessible surface: 488.591  Positive charged surface: 310.086  Negative charged surface: 178.505  Volume: 259.25
  Hydrophobic surface: 393.257  Hydrophilic surface: 95.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.