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


OAKWOOD-ZINC02513610

 MMsINC code: MMs02544143
Type: Neutral
Formula: C10H15NO3
SMILES:   O(C)c1cc(cc(OC)c1O)CCN
InChI:   InChI=1/C10H15NO3/c1-13-8-5-7(3-4-11)6-9(14-2)10(8)12/h5-6,12H,3-4,11H2,1-2H3

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)=61.3857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.234 g/mol  logS: -0.85008  SlogP: 0.91057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773387  Sterimol/B1: 2.16051  Sterimol/B2: 2.54711  Sterimol/B3: 2.88043
  Sterimol/B4: 9.41086  Sterimol/L: 11.3858 
 
 Surface and Volume Properties
  Accessible surface: 423.225  Positive charged surface: 349.645  Negative charged surface: 73.5802  Volume: 193
  Hydrophobic surface: 291.386  Hydrophilic surface: 131.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02544144
OAKWOOD-ZINC02513610