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


ENAMINE-ZINC01693319

 MMsINC code: MMs01243417
Type: Neutral
Formula: C9H12O2
SMILES:   O(CCC)c1ccccc1O
InChI:   InChI=1/C9H12O2/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6,10H,2,7H2,1H3

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)=35.4116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.193 g/mol  logS: -1.60229  SlogP: 2.181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289416  Sterimol/B1: 2.41544  Sterimol/B2: 2.49333  Sterimol/B3: 3.82993
  Sterimol/B4: 4.58935  Sterimol/L: 12.2972 
 
 Surface and Volume Properties
  Accessible surface: 369.016  Positive charged surface: 243.566  Negative charged surface: 125.451  Volume: 159.375
  Hydrophobic surface: 292.51  Hydrophilic surface: 76.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.