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


ASINEX-ZINC03865295

 MMsINC code: MMs00290734
Type: Neutral
Formula: C19H29NO2
SMILES:   O(CC(O)CN1C(CCCC1C)C)c1ccccc1CC=C
InChI:   InChI=1/C19H29NO2/c1-4-8-17-11-5-6-12-19(17)22-14-18(21)13-20-15(2)9-7-10-16(20)3/h4-6,11-12,15-16,18,21H,1,7-10,13-14H2,2-3H3/t15-,16-,18-/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)=95.4563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.446 g/mol  logS: -3.69734  SlogP: 3.41767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0993789  Sterimol/B1: 2.08894  Sterimol/B2: 4.05584  Sterimol/B3: 6.38864
  Sterimol/B4: 6.62311  Sterimol/L: 15.8768 
 
 Surface and Volume Properties
  Accessible surface: 595.588  Positive charged surface: 410.699  Negative charged surface: 184.889  Volume: 330.875
  Hydrophobic surface: 484.385  Hydrophilic surface: 111.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00290735
ASINEX-ZINC03865295