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


ACROSORGANICS-ZINC00967571

 MMsINC code: MMs00008361
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+/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)=56.339 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: 0.378132  Sterimol/B1: 2.17677  Sterimol/B2: 3.15906  Sterimol/B3: 4.05174
  Sterimol/B4: 5.39408  Sterimol/L: 9.15969 
 
 Surface and Volume Properties
  Accessible surface: 342.047  Positive charged surface: 232.157  Negative charged surface: 109.891  Volume: 168.625
  Hydrophobic surface: 260.516  Hydrophilic surface: 81.531
 
 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.