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


PUBCHEM-ZINC01997839

 MMsINC code: MMs02840444
Type: Neutral
Formula: C10H15NO2
SMILES:   O(C)c1ccccc1C(O)C(N)C
InChI:   InChI=1/C10H15NO2/c1-7(11)10(12)8-5-3-4-6-9(8)13-2/h3-7,10,12H,11H2,1-2H3/t7-,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)=57.3442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.235 g/mol  logS: -1.22485  SlogP: 1.1713  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134639  Sterimol/B1: 2.36751  Sterimol/B2: 4.57026  Sterimol/B3: 4.62343
  Sterimol/B4: 5.26167  Sterimol/L: 9.85097 
 
 Surface and Volume Properties
  Accessible surface: 383.514  Positive charged surface: 271.877  Negative charged surface: 111.637  Volume: 186.25
  Hydrophobic surface: 274.991  Hydrophilic surface: 108.523
 
 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


MMs02840445
PUBCHEM-ZINC01997839