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


ACDBLOCKS-ZINC04227515

 MMsINC code: MMs00001946
Type: Neutral
Formula: C11H14O3
SMILES:   O(CCC)c1ccc(cc1)CC(O)=O
InChI:   InChI=1/C11H14O3/c1-2-7-14-10-5-3-9(4-6-10)8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)

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)=33.2005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.23 g/mol  logS: -1.99511  SlogP: 2.10247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458207  Sterimol/B1: 2.62435  Sterimol/B2: 3.00519  Sterimol/B3: 3.24359
  Sterimol/B4: 4.96281  Sterimol/L: 14.9905 
 
 Surface and Volume Properties
  Accessible surface: 430.882  Positive charged surface: 287.329  Negative charged surface: 143.553  Volume: 197.375
  Hydrophobic surface: 306.33  Hydrophilic surface: 124.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00001947
ACDBLOCKS-ZINC04227515