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


PUBCHEM-ZINC05696399

 MMsINC code: MMs03351696
Type: Neutral
Formula: C14H25NO
SMILES:   O=C(NC1CC(CC(C1)C)(C)C)C1CC1C
InChI:   InChI=1/C14H25NO/c1-9-5-11(8-14(3,4)7-9)15-13(16)12-6-10(12)2/h9-12H,5-8H2,1-4H3,(H,15,16)/t9-,10+,11-,12-/m1/s1

Download   format file 
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)=73.6087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.36 g/mol  logS: -3.60399  SlogP: 2.9734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157257  Sterimol/B1: 2.53074  Sterimol/B2: 3.30528  Sterimol/B3: 4.11645
  Sterimol/B4: 6.84588  Sterimol/L: 12.788 
 
 Surface and Volume Properties
  Accessible surface: 462.466  Positive charged surface: 338.495  Negative charged surface: 123.971  Volume: 250.125
  Hydrophobic surface: 374.834  Hydrophilic surface: 87.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.