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


PUBCHEM-ZINC03705332

 MMsINC code: MMs03051163
Type: Neutral
Formula: C10H15NO
SMILES:   O(C)c1cc(C)c(cc1)C(N)C
InChI:   InChI=1/C10H15NO/c1-7-6-9(12-3)4-5-10(7)8(2)11/h4-6,8H,11H2,1-3H3/t8-/m0/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)=47.8559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -1.90131  SlogP: 2.11882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0741254  Sterimol/B1: 2.34643  Sterimol/B2: 2.62699  Sterimol/B3: 3.44285
  Sterimol/B4: 6.13972  Sterimol/L: 12.1005 
 
 Surface and Volume Properties
  Accessible surface: 380.383  Positive charged surface: 270.416  Negative charged surface: 109.966  Volume: 179.625
  Hydrophobic surface: 297.84  Hydrophilic surface: 82.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03051164
PUBCHEM-ZINC03705332