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


NCID-ZINC00968270

 MMsINC code: MMs02218141
Type: Neutral
Formula: C8H10
SMILES:   c1ccccc1CC
InChI:   InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

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)=18.5333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.168 g/mol  logS: -2.37402  SlogP: 2.24897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103138  Sterimol/B1: 2.06219  Sterimol/B2: 3.37528  Sterimol/B3: 3.6176
  Sterimol/B4: 3.61858  Sterimol/L: 10.0694 
 
 Surface and Volume Properties
  Accessible surface: 302.291  Positive charged surface: 184.175  Negative charged surface: 118.115  Volume: 127.75
  Hydrophobic surface: 278.966  Hydrophilic surface: 23.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.