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


NANOSIN-ZINC02022831

 MMsINC code: MMs02201221
Type: Neutral
Formula: C18H34O2
SMILES:   OC(=O)CCC(CCCC1CCC(CC1)CCCC)C
InChI:   InChI=1/C18H34O2/c1-3-4-7-16-10-12-17(13-11-16)8-5-6-15(2)9-14-18(19)20/h15-17H,3-14H2,1-2H3,(H,19,20)/t15-,16-,17+/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)=30.4408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.468 g/mol  logS: -7.42177  SlogP: 5.6542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631111  Sterimol/B1: 2.3094  Sterimol/B2: 2.91525  Sterimol/B3: 4.01989
  Sterimol/B4: 8.27846  Sterimol/L: 17.7241 
 
 Surface and Volume Properties
  Accessible surface: 601.569  Positive charged surface: 460.516  Negative charged surface: 141.053  Volume: 321.875
  Hydrophobic surface: 460.154  Hydrophilic surface: 141.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02201222
NANOSIN-ZINC02022831