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


FDA-ZINC00004760

 MMsINC code: MMs01724978
Type: Neutral
Formula: C19H29NO
SMILES:   OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1
InChI:   InChI=1/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2/t19-/m1/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)=64.8503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.447 g/mol  logS: -3.98231  SlogP: 4.2519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0945075  Sterimol/B1: 2.55014  Sterimol/B2: 3.22529  Sterimol/B3: 3.85919
  Sterimol/B4: 9.60218  Sterimol/L: 14.4585 
 
 Surface and Volume Properties
  Accessible surface: 549.491  Positive charged surface: 412.248  Negative charged surface: 137.243  Volume: 315.125
  Hydrophobic surface: 524.857  Hydrophilic surface: 24.634
 
 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


MMs01724979
FDA-ZINC00004760