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


NCID-ZINC01680725

 MMsINC code: MMs02314839
Type: Neutral
Formula: C10H13NO2
SMILES:   O(C)c1cc2CC(N)C(O)c2cc1
InChI:   InChI=1/C10H13NO2/c1-13-7-2-3-8-6(4-7)5-9(11)10(8)12/h2-4,9-10,12H,5,11H2,1H3/t9-,10-/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)=60.9255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.219 g/mol  logS: -1.08151  SlogP: 0.70747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922895  Sterimol/B1: 3.19729  Sterimol/B2: 3.35721  Sterimol/B3: 3.54715
  Sterimol/B4: 4.21597  Sterimol/L: 11.8883 
 
 Surface and Volume Properties
  Accessible surface: 385.396  Positive charged surface: 285.983  Negative charged surface: 99.4134  Volume: 177.5
  Hydrophobic surface: 267.759  Hydrophilic surface: 117.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02314840
NCID-ZINC01680725