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


ACROSORGANICS-ZINC01758567

 MMsINC code: MMs00011866
Type: Neutral
Formula: C10H15NO
SMILES:   OCCCNCc1ccccc1
InChI:   InChI=1/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2

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)=19.2971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -1.12461  SlogP: 1.425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641065  Sterimol/B1: 2.32228  Sterimol/B2: 3.61262  Sterimol/B3: 3.66342
  Sterimol/B4: 3.80917  Sterimol/L: 14.3638 
 
 Surface and Volume Properties
  Accessible surface: 409.103  Positive charged surface: 288.272  Negative charged surface: 120.831  Volume: 181.25
  Hydrophobic surface: 334.81  Hydrophilic surface: 74.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00011867
ACROSORGANICS-ZINC01758567