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


NCID-ZINC01872944

 MMsINC code: MMs02376892
Type: Neutral
Formula: C10H16O
SMILES:   O=C1CCCCC12CCCC2
InChI:   InChI=1/C10H16O/c11-9-5-1-2-6-10(9)7-3-4-8-10/h1-8H2

Download   format file 
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)=27.9496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -2.08527  SlogP: 2.6899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272146  Sterimol/B1: 3.34379  Sterimol/B2: 3.47739  Sterimol/B3: 3.53004
  Sterimol/B4: 4.26028  Sterimol/L: 10.1394 
 
 Surface and Volume Properties
  Accessible surface: 339.118  Positive charged surface: 248.474  Negative charged surface: 90.6442  Volume: 166.875
  Hydrophobic surface: 307.928  Hydrophilic surface: 31.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.