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


APOLLO-ZINC00156568

 MMsINC code: MMs00044550
Type: Neutral
Formula: C10H15NO
SMILES:   ON=C1C2CC3CC1CC(C2)C3
InChI:   InChI=1/C10H15NO/c12-11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9,12H,1-5H2/b11-10-/t6-,7+,8-,9+

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)=36.0573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -1.79845  SlogP: 2.2727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.550148  Sterimol/B1: 3.21944  Sterimol/B2: 3.61847  Sterimol/B3: 3.64791
  Sterimol/B4: 4.50542  Sterimol/L: 10.1169 
 
 Surface and Volume Properties
  Accessible surface: 342.675  Positive charged surface: 258.858  Negative charged surface: 83.8169  Volume: 165.75
  Hydrophobic surface: 267.698  Hydrophilic surface: 74.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.