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


PUBCHEM-ZINC05356586

 MMsINC code: MMs03247201
Type: Neutral
Formula: C10H20O3
SMILES:   OC1(CCC(CC1O)C(O)(C)C)C
InChI:   InChI=1/C10H20O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h7-8,11-13H,4-6H2,1-3H3/t7-,8+,10+/m1/s1

Download   format file 
Drug Similarity  |  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)=57.8704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -0.79503  SlogP: 0.6693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215193  Sterimol/B1: 3.38358  Sterimol/B2: 3.47441  Sterimol/B3: 3.51128
  Sterimol/B4: 3.95585  Sterimol/L: 11.0617 
 
 Surface and Volume Properties
  Accessible surface: 383.038  Positive charged surface: 279.789  Negative charged surface: 103.249  Volume: 194.875
  Hydrophobic surface: 219.831  Hydrophilic surface: 163.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.