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


ACROSORGANICS-ZINC01577134

 MMsINC code: MMs00009403
Type: Neutral
Formula: C11H14O2
SMILES:   OC(=O)CCCCc1ccccc1
InChI:   InChI=1/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(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)=16.488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.231 g/mol  logS: -2.32811  SlogP: 2.48397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659454  Sterimol/B1: 2.23444  Sterimol/B2: 3.61746  Sterimol/B3: 3.61827
  Sterimol/B4: 3.6887  Sterimol/L: 14.5305 
 
 Surface and Volume Properties
  Accessible surface: 411.123  Positive charged surface: 258.051  Negative charged surface: 153.071  Volume: 187.75
  Hydrophobic surface: 312.652  Hydrophilic surface: 98.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00009404
ACROSORGANICS-ZINC01577134