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


NCID-ZINC05304600

 MMsINC code: MMs02450916
Type: Neutral
Formula: C10H19NO
SMILES:   OC1C2(CCC(C2(C)C)C1N)C
InChI:   InChI=1/C10H19NO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8,12H,4-5,11H2,1-3H3/t6-,7-,8-,10+/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)=91.6369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.36722  SlogP: 1.1307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.652911  Sterimol/B1: 2.76541  Sterimol/B2: 3.62417  Sterimol/B3: 4.51165
  Sterimol/B4: 5.33581  Sterimol/L: 8.5671 
 
 Surface and Volume Properties
  Accessible surface: 352.276  Positive charged surface: 272.739  Negative charged surface: 79.537  Volume: 184.125
  Hydrophobic surface: 227.396  Hydrophilic surface: 124.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02450917
NCID-ZINC05304600