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


ACROSORGANICS-ZINC00967570

 MMsINC code: MMs00008360
Type: Neutral
Formula: C10H16O
SMILES:   O=C1C(C2CC1(CC2)C)(C)C
InChI:   InChI=1/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/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)=55.7221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -1.45837  SlogP: 2.4017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.378334  Sterimol/B1: 2.73604  Sterimol/B2: 3.25273  Sterimol/B3: 4.30331
  Sterimol/B4: 4.4758  Sterimol/L: 9.17789 
 
 Surface and Volume Properties
  Accessible surface: 342.473  Positive charged surface: 232.852  Negative charged surface: 109.621  Volume: 169.25
  Hydrophobic surface: 260.065  Hydrophilic surface: 82.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.